SCHEMBL4478081

SCHEMBL4478081

COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00
TACR2 P21452 3/20 0.88
TSHR P16473 2/20 0.88
KDM4E B2RXH2 1/20 0.88
MEN1 O00255 1/20 0.88
ALDH1A1 P00352 1/20 0.88
CYP1A2 P05177 1/20 0.88
CYP3A4 P08684 1/20 0.88
NFKB1 P19838 1/20 0.88
MTOR P42345 1/20 0.88
BLM P54132 1/20 0.88
PMP22 Q01453 1/20 0.88
KMT2A Q03164 1/20 0.88
NPSR1 Q6W5P4 1/20 0.88
HSD17B10 Q99714 1/20 0.88
CYP2D6 P10635 1/20 0.88
CYP2C9 P11712 1/20 0.88

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
SCHEMBL4478086 1.00 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL6447385 0.99 TACR3 (0.98) TACR3TACR2TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL6447378 0.99 TACR3 (0.98) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL6448376 0.96 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL6448375 0.96 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4459316 0.93 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4459313 0.93 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4460561 0.93 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4463665 0.91 TACR3 (0.83) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4463672 0.91 TACR3 (0.83) TACR3TACR2TSHRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-0940391-B1 Quinoline derivatives as tachykinin NK3 receptor antagonists GLAXOSMITHKLINE SPA (IT) 2004-08-18 EP disclosed
US-6743804-B2 A QUINOLINE DERIVATIVES, FOR TREATMENT OF CERTAIN CONDITIONS BY OVERSTIMULATION OF THE THACHYKININ RECEPTORS, DISORDERS OF CENTRAL NERVOUS SYSTEM, SCHIZOPHRENIA; NEURODEGENERATIVE DISORDERS ALZHEIMER DISEASE AND DOWN'S SYNDROME SMITHKLINE BEECHAM S P.A. (IT) 2004-06-01 US disclosed
US-20030236281-A1 Quinoline derivatives(2) FARINA CARLO (IT) 2003-12-25 US disclosed
US-20030195204-A1 Quinoline derivatives as NK3 antagonists SMITHKLINE BEECHAM S.P.A. 2003-10-16 US disclosed
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 disclosed
EP-0804419-B1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMA (IT) 2003-08-06 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
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP disclosed
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 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-20030195204-A1 Quinoline derivatives as NK3 antagonists KCNK3, KCND3, KCNN3 TACR3 9/4885TACR2 55/4885TSHR 2427/4885
US-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 TACR3 51/4885TACR2 57/4885TSHR 1185/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 TACR3 31/4885TACR2 19/4885TSHR 931/4885
US-20050096316-A1 Neutokinin (NK3) receptor antagonists; pulmonary disorders, nervous system disorders and neurodegenerative disorders TACR3, CHRNB3, CHRNA3 TACR3 1/4885TACR2 11/4885TSHR 578/4885

“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.