SCHEMBL4478201

SCHEMBL4478201

CCC(NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)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 0.71
OPRM1 P35372 2/20 0.71
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP2D6 P10635 1/20 0.67
TACR1 P25103 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 1/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL4478193 1.00 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4472989 0.87 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4472992 0.87 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL7990012 0.85 TACR3 (0.81) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL7990006 0.85 TACR3 (0.81) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL18407125 0.85 TACR3 (0.80) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL4996809 0.83 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL7528475 0.83 TACR3 (1.00) TACR3TACR2OPRM1CYP1A2CYP3A4
SCHEMBL25425592 0.82 TACR3 (0.76) TACR3TACR2OPRM1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4456802 0.82 TACR3 (0.98) 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 25 patents — showing the first 20. 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
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 WO claimed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-20060160846-A1 Quinoline derivatives SMITHKLINE BEECHAM FARMAEUTICI S.P.A. 2006-07-20 US disclosed
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders FARINA CARLO (IT) 2005-05-05 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
EP-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP disclosed
EP-0804419-B1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMA (IT) 2003-08-06 EP 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
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 EP disclosed
EP-0874827-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS Smithkline Becham S.P.A. (IT) 1998-11-04 EP disclosed
US-5811553-A TREATMENT OF NEURODEGENERATIVE DISORDERS, PULMONARY DISORDERS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1998-09-22 US disclosed
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 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 (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-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 TACR3 51/4885TACR2 57/4885OPRM1 541/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 TACR3 31/4885TACR2 19/4885OPRM1 410/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 TACR3 1/4885TACR2 11/4885OPRM1 502/4885

“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.