SCHEMBL6151720

SCHEMBL6151720

CN(C)Cc1cc(-n2ccnc2)ccc1Oc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
CYP1A2 P05177 6/20 0.46
CYP2D6 P10635 6/20 0.46
CYP2C19 P33261 5/20 0.46
CYP2C9 P11712 5/20 0.46
CYP3A4 P08684 5/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HTR2A P28223 2/20 0.42

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
SCHEMBL6151965 0.82 SLC6A4 (0.59) CYP19A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL2071832 0.75 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP3A4MAPT
SCHEMBL6153431 0.73 SLC6A4 (0.43) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4499181 0.70 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL6151910 0.69 SLC6A4 (0.57) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9194951 0.68 FNTA (0.56) CYP19A1CYP11B1CYP11B2MAPTFNTA
SCHEMBL6152038 0.68 SLC6A4 (0.58) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL6152051 0.68 SLC6A4 (0.63) HTR2ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL7211341 0.67 SLC6A4 (0.56) CYP2D6ALDH1A1HTR2ASLC6A4SLC6A2
SCHEMBL22114976 0.66 IDO1 (0.64) CYP19A1CYP11B1CYP11B2CYP3A4ALDH1A1

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 33 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 CYP19A1 1017/4885CYP11B1 536/4885CYP11B2 563/4885
US-20020183306-A1 Combination treatment for sleep disorders including sleep apnea HTR1A, HTR2A, ADRA2A CYP19A1 849/4885CYP11B1 538/4885CYP11B2 377/4885
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 CYP19A1 183/4885CYP11B1 297/4885CYP11B2 294/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 CYP19A1 603/4885CYP11B1 555/4885CYP11B2 512/4885
US-20040162316-A1 Combination treatment for alcoholism and alcohol dependence OPRM1, SLC6A2, OPRK1 CYP19A1 1392/4885CYP11B1 471/4885CYP11B2 351/4885
US-20020123490-A1 Combination treatment for anxiety, depression, obsessive compulsive disorder and psychosis SLC6A3, OXTR, OPRD1 CYP19A1 2230/4885CYP11B1 2196/4885CYP11B2 2063/4885
US-20020099045-A1 Combination treatment for depression HTR5A, HTR1A, OPRL1 CYP19A1 1640/4885CYP11B1 1079/4885CYP11B2 969/4885
US-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PMP22, GAP43, SLC6A2 CYP19A1 3489/4885CYP11B1 689/4885CYP11B2 729/4885

“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.