SCHEMBL5837560

SCHEMBL5837560

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.77
SLC6A4 P31645 14/20 0.77
KCNH2 Q12809 12/20 0.77
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5837542 0.82 HTR2A (1.00) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5837556 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2L3MBTL1ATM
SCHEMBL13997375 0.77 HTR2A (0.59) HTR2ASLC6A4KCNH2CYP2D6L3MBTL1
SCHEMBL5836323 0.76 HTR2A (1.00) HTR2ASLC6A4KCNH2CYP2D6L3MBTL1
SCHEMBL10969104 0.75 FFAR1 (0.60) HTR2ASLC6A4KCNH2CYP2D6L3MBTL1
SCHEMBL24779833 0.74 HTR2A (0.51) HTR2ASLC6A4KCNH2CYP2D6
SCHEMBL5018905 0.73 L3MBTL1 (0.64) HTR2ASLC6A4KCNH2L3MBTL1ATM
SCHEMBL1340730 0.73 L3MBTL1 (0.72) HTR2ASLC6A4KCNH2CYP2D6L3MBTL1
SCHEMBL22279499 0.72 PDE2A (0.65) HTR2ASLC6A4KCNH2CYP2D6LMNA
SCHEMBL25376121 0.72 PDE2A (0.65) HTR2ASLC6A4KCNH2CYP2D6LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US claimed
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea PFIZER INC. 2002-12-05 US claimed
EP-1262197-A2 Combination treatment for sleep disorders including sleep apnea Pfizer Products Inc. (US) 2002-12-04 EP 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-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
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-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
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
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-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 WO 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 (9 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-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-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.