SCHEMBL4464383

SCHEMBL4464383

C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 1.00
LMNA P02545 1/20 0.76
TP53 P04637 1/20 0.76
TACR2 P21452 5/20 0.72
TSHR P16473 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
NFKB1 P19838 1/20 0.71
MTOR P42345 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
KMT2A Q03164 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
HSD17B10 Q99714 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71

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
SCHEMBL4477684 1.00 TACR3 (1.00) TACR3LMNATP53TACR2TSHR
SCHEMBL4477689 1.00 TACR3 (1.00) TACR3LMNATP53TACR2TSHR
SCHEMBL14094494 0.93 TACR3 (0.86) TACR3LMNATP53TACR2TSHR
SCHEMBL14015159 0.91 TACR3 (0.83) TACR3LMNATP53TACR2TSHR
SCHEMBL4602582 0.90 TACR3 (0.81) TACR3LMNATP53TACR2TSHR
SCHEMBL13971492 0.88 TACR3 (0.78) TACR3LMNATP53TACR2TSHR
SCHEMBL6449931 0.88 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL6449930 0.88 TACR3 (1.00) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL4602265 0.87 TACR3 (0.76) TACR3LMNATP53TACR2TSHR
SCHEMBL6448798 0.87 TACR3 (1.00) 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 37 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
US-9884863-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-9884863-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 US disclosed
US-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 US disclosed
US-9562002-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-02-07 US disclosed
US-9562002-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-02-07 US 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 (3 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 86/4885LMNA 1589/4885TP53 4499/4885
US-20170152260-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 TACR3 3797/4885LMNA 4671/4885TP53 15/4885
US-20030236281-A1 Quinoline derivatives(2) KCNQ3, CHRNA3, KCNK3 TACR3 31/4885LMNA 2151/4885TP53 3686/4885

“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.