SCHEMBL6447407

SCHEMBL6447407

CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(CC)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00
TACR2 P21452 8/20 1.00
OPRM1 P35372 2/20 0.82
CYP1A2 P05177 2/20 0.81
CYP3A4 P08684 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
CYP2D6 P10635 1/20 0.81
TACR1 P25103 1/20 0.81
MEN1 O00255 1/20 0.81
ALDH1A1 P00352 1/20 0.81
TP53 P04637 1/20 0.81
TSHR P16473 1/20 0.81
NFKB1 P19838 1/20 0.81
MAPK1 P28482 1/20 0.81
BLM P54132 1/20 0.81
PMP22 Q01453 1/20 0.81
KMT2A Q03164 1/20 0.81
ATM Q13315 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81

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
SCHEMBL6448703 1.00 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6449768 1.00 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6450716 0.92 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL3578790 0.92 TACR3 (0.85) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL1581463 0.92 TACR3 (0.85) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL3595794 0.92 TACR3 (0.85) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6448671 0.92 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL1581327 0.92 TACR3 (0.85) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6447324 0.91 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL6447326 0.91 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP claimed
EP-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP claimed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US claimed
US-6608083-B1 Treatment and/or prophylaxis of convulsive disorders, renal disorders, urinary incontinence, ocular inflammation, eating disorders, inflammatory pain, allergic rhinitis, psoriasis,neurodegenerative disorders, Huntington's disease, SMITHKLINE BEECHAM FARMACEUTICI S.P.A (IT) 2003-08-19 US claimed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP claimed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP claimed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP claimed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 WO claimed
US-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists CRAWFORTH JAMES MICHAEL 2009-06-04 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-09-25 US disclosed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 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 (4 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR3 86/4885TACR2 7/4885OPRM1 81/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 TACR3 31/4885TACR2 19/4885OPRM1 410/4885
US-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands TACR3, TACR2, KCNA3 TACR3 1/4885TACR2 2/4885OPRM1 21/4885
US-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists TACR2, TACR1, TACR3 TACR3 3/4885TACR2 1/4885OPRM1 202/4885

“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.