SCHEMBL5837542

SCHEMBL5837542

CNC(C)c1cc(F)ccc1Oc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 1.00
SLC6A4 P31645 17/20 1.00
KCNH2 Q12809 14/20 1.00
CYP2D6 P10635 1/20 0.48
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
PNLIP P16233 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5836792 0.86 HTR2A (1.00) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5837560 0.82 HTR2A (0.77) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5836323 0.82 HTR2A (1.00) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5837537 0.79 HTR2A (0.65) HTR2ASLC6A4KCNH2CYP2D6PTGER4
SCHEMBL6056327 0.75 SLC6A4 (0.74) HTR2ASLC6A4KCNH2
SCHEMBL18646614 0.73 HSPB1 (0.58) HTR2ASLC6A4KCNH2CYP2D6PNLIP
SCHEMBL5837192 0.72 SLC6A4 (1.00) HTR2ASLC6A4KCNH2
SCHEMBL18589009 0.72 HTR2A (0.55) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL20575169 0.72 HTR2A (0.55) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL29766805 0.72 HTR2A (0.55) HTR2ASLC6A4KCNH2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy ARNERIC STEPHEN P (US) 2005-03-17 US claimed
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence PFIZER INC 2004-08-19 US claimed
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC 2004-03-11 US claimed
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US claimed
US-6677378-B2 AS SEROTONIN, NOREPINEPHRINE AND DOPAMINE REUPTAKE INHIBITORS, FOR THERAPY OF CENTRAL NERVOUS SYSTEM AND OTHER DISORDERS PFIZER INC. 2004-01-13 US claimed
US-20030130322-A1 Biaryl ether derivative as opiod antagonist PFIZER INC. 2003-07-10 US claimed
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea PFIZER INC. 2002-12-05 US claimed
EP-1262196-A2 Combination of a monoamine reuptake inhibitor and an opioid antagonist for use in alcoholism and alcohol dependence Pfizer Products Inc. (US) 2002-12-04 EP claimed
EP-1262197-A2 Combination treatment for sleep disorders including sleep apnea Pfizer Products Inc. (US) 2002-12-04 EP claimed
EP-1260221-A2 Combination treatment for depression and anxiety Pfizer Products Inc. (US) 2002-11-27 EP claimed
US-20020165217-A1 Combination treatment for anxiety and depression PFIZER INC. 2002-11-07 US claimed
US-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PFIZER INC. 2002-10-10 US claimed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US claimed
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis PFIZER INC. 2002-09-05 US claimed
US-6436938-B1 ADMINISTERING A SIGMA RECEPTOR LIGAND IN COMBINATION WITH AN ANTIDEPRESSANT AGENT; ESPECIALLY FOR REFRACTORY DEPRESSION PFIZER INC. 2002-08-20 US claimed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US claimed
US-20020099045-A1 Combination treatment for depression PFIZER PRODUCTS INC. 2002-07-25 US claimed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP claimed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 WO claimed
US-7084165-B2 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC (US) 2006-08-01 US disclosed
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence PFIZER INC 2004-08-19 US disclosed
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC 2004-03-11 US disclosed
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US disclosed
US-6677378-B2 AS SEROTONIN, NOREPINEPHRINE AND DOPAMINE REUPTAKE INHIBITORS, FOR THERAPY OF CENTRAL NERVOUS SYSTEM AND OTHER DISORDERS PFIZER INC. 2004-01-13 US disclosed
US-20030130322-A1 Biaryl ether derivative as opiod antagonist PFIZER INC. 2003-07-10 US disclosed
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea PFIZER INC. 2002-12-05 US disclosed
EP-1262196-A2 Combination of a monoamine reuptake inhibitor and an opioid antagonist for use in alcoholism and alcohol dependence Pfizer Products Inc. (US) 2002-12-04 EP disclosed
EP-1262197-A2 Combination treatment for sleep disorders including sleep apnea Pfizer Products Inc. (US) 2002-12-04 EP disclosed
EP-1260221-A2 Combination treatment for depression and anxiety Pfizer Products Inc. (US) 2002-11-27 EP disclosed
US-20020165217-A1 Combination treatment for anxiety and depression PFIZER INC. 2002-11-07 US disclosed
EP-1254668-A2 Combination of a serotonin reuptake inhibitor and a GABA-A alpha 2/3 agonist for use in anxiety and depression Pfizer Products Inc. (US) 2002-11-06 EP disclosed
US-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PFIZER INC. 2002-10-10 US disclosed
EP-1247533-A2 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy Pfizer Products Inc. (US) 2002-10-09 EP disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
EP-1238676-A1 Combination of a serotonin reuptake inhibitor and an atypical antipsychotic for use in depression, obsessive compulsive disorder and psychosis Pfizer Products Inc. (US) 2002-09-11 EP disclosed
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis PFIZER INC. 2002-09-05 US disclosed
US-6436938-B1 ADMINISTERING A SIGMA RECEPTOR LIGAND IN COMBINATION WITH AN ANTIDEPRESSANT AGENT; ESPECIALLY FOR REFRACTORY DEPRESSION PFIZER INC. 2002-08-20 US disclosed
EP-1230921-A1 Combination treatment for depression Pfizer Products Inc. (US) 2002-08-14 EP disclosed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US disclosed
US-20020099045-A1 Combination treatment for depression PFIZER PRODUCTS INC. 2002-07-25 US disclosed
EP-1224930-A1 Combination of a SR inhibitor and sigma receptor ligand in the treatment ofdepression Pfizer Products Inc. (US) 2002-07-24 EP disclosed
EP-1224930-A1 Combination of a SR inhibitor and sigma receptor ligand in the treatment ofdepression Pfizer Products Inc. (US) 2002-07-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130322-A1 Biaryl ether derivative as opiod antagonist OPRM1, OPRD1, OPRK1 HTR2A 29/4885SLC6A4 40/4885KCNH2 2000/4885
US-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy SLC6A2, SLC18A2, ADRA2C HTR2A 16/4885SLC6A4 4/4885KCNH2 3485/4885
US-20020165217-A1 Combination treatment for anxiety and depression GABRA1, GABRA2, GABRA5 HTR2A 48/4885SLC6A4 40/4885KCNH2 840/4885
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea HTR1A, HTR2A, ADRA2A HTR2A 2/4885SLC6A4 30/4885KCNH2 700/4885
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier HTR3A, HTR3E, HTR4 HTR2A 11/4885SLC6A4 19/4885KCNH2 2974/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 HTR2A 9/4885SLC6A4 14/4885KCNH2 1815/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 HTR2A 43/4885SLC6A4 13/4885KCNH2 1285/4885
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis SLC6A3, OXTR, OPRD1 HTR2A 13/4885SLC6A4 5/4885KCNH2 1532/4885
US-20020099045-A1 Combination treatment for depression HTR5A, HTR1A, OPRL1 HTR2A 4/4885SLC6A4 11/4885KCNH2 1516/4885
US-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PMP22, GAP43, SLC6A2 HTR2A 108/4885SLC6A4 4/4885KCNH2 368/4885
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A4, SLC6A3 HTR2A 24/4885SLC6A4 2/4885KCNH2 1224/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 HTR2A 14/4885SLC6A4 4/4885KCNH2 1492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.