SCHEMBL6152467

SCHEMBL6152467

Cc1nccc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)c(C(C)CN)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.46
HTR2A P28223 6/20 0.42
SLC6A4 P31645 6/20 0.42
KCNH2 Q12809 6/20 0.42
KMO O15229 3/20 0.40
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6152470 0.84 HTR2A (0.61) AAK1HTR2ASLC6A4KCNH2KMO
SCHEMBL7643807 0.81 HTR2A (0.44) AAK1HTR2ASLC6A4KCNH2KMO
SCHEMBL6151864 0.78 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL6151721 0.77 HTR2A (0.59) HTR2ASLC6A4KCNH2DYRK1ACLK4
SCHEMBL7640670 0.76 HTR2A (0.46) AAK1HTR2ASLC6A4KCNH2DYRK1A
SCHEMBL7624862 0.75 KMO (0.39) AAK1HTR2ASLC6A4KCNH2KMO
SCHEMBL5836789 0.74 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL6151886 0.73 HTR2A (0.43) HTR2ASLC6A4KCNH2
SCHEMBL2402821 0.73 KMO (0.65) AAK1KMODYRK1ACLK4
SCHEMBL5837924 0.72 HTR2A (0.64) HTR2ASLC6A4KCNH2

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 27 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-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-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-20030130322-A1 Biaryl ether derivative as opiod antagonist PFIZER INC. 2003-07-10 US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 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-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-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
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US 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 AAK1 3448/4885HTR2A 29/4885SLC6A4 40/4885
US-20020165217-A1 Combination treatment for anxiety and depression GABRA1, GABRA2, GABRA5 AAK1 2413/4885HTR2A 48/4885SLC6A4 40/4885
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea HTR1A, HTR2A, ADRA2A AAK1 1308/4885HTR2A 2/4885SLC6A4 30/4885
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 AAK1 3890/4885HTR2A 11/4885SLC6A4 19/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 AAK1 2681/4885HTR2A 9/4885SLC6A4 14/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 AAK1 3010/4885HTR2A 43/4885SLC6A4 13/4885
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis SLC6A3, OXTR, OPRD1 AAK1 2331/4885HTR2A 13/4885SLC6A4 5/4885
US-20020099045-A1 Combination treatment for depression HTR5A, HTR1A, OPRL1 AAK1 1943/4885HTR2A 4/4885SLC6A4 11/4885
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 AAK1 2435/4885HTR2A 24/4885SLC6A4 6/4885

“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.