SCHEMBL6151647

SCHEMBL6151647

CNCc1cc(N2C(=O)CSC2=O)ccc1Oc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
SLC6A4 P31645 18/20 0.42
HTR2A P28223 16/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 12/20 0.40
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL6152333 0.82 SLC6A4 (0.42) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6152279 0.82 SLC6A4 (0.40) SLC6A4HTR2AKCNH2HRH3
SCHEMBL6152792 0.82 SLC6A4 (0.40) SLC6A4HTR2AKCNH2HRH3
SCHEMBL6152468 0.76 SLC6A4 (0.40) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6151776 0.76 SLC6A4 (0.40) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7639504 0.75 HTR2A (0.41) SLC6A4HTR2AKCNH2
SCHEMBL6153480 0.75 SLC6A4 (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6153482 0.74 SLC6A4 (0.38) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6152544 0.67 SLC6A4 (0.57) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL24534313 0.66 SMN1; SMN2 (0.58) DHODHCYP1A2CYP3A4CYP2D6CYP2C9

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 34 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-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-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-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP disclosed
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence PFIZER INC 2004-08-19 US disclosed
EP-1238676-B1 Combination of a serotonin reuptake inhibitor and an atypical antipsychotic for use in depression, obsessive compulsive disorder and psychosis PFIZER PROD INC (US) 2004-05-19 EP disclosed
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 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
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-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 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 (8 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-20020165217-A1 Combination treatment for anxiety and depression GABRA1, GABRA2, GABRA5 DHODH 2453/4885SLC6A4 40/4885HTR2A 48/4885
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea HTR1A, HTR2A, ADRA2A DHODH 2154/4885SLC6A4 30/4885HTR2A 2/4885
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 DHODH 438/4885SLC6A4 19/4885HTR2A 11/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 DHODH 2154/4885SLC6A4 14/4885HTR2A 9/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 DHODH 934/4885SLC6A4 13/4885HTR2A 43/4885
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis SLC6A3, OXTR, OPRD1 DHODH 2119/4885SLC6A4 5/4885HTR2A 13/4885
US-20020099045-A1 Combination treatment for depression HTR5A, HTR1A, OPRL1 DHODH 2151/4885SLC6A4 11/4885HTR2A 4/4885
US-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PMP22, GAP43, SLC6A2 DHODH 1973/4885SLC6A4 4/4885HTR2A 108/4885

“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.