SCHEMBL2372674

SCHEMBL2372674

COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.73
TSHR P16473 2/20 0.73
DHODH Q02127 5/20 0.69
TACR3 P29371 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TACR2 P21452 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C19 P33261 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL2373101 0.87 MAPT (0.69) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL4879045 0.87 DHODH (0.71) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL4875991 0.86 KDM4E (0.55) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL5945348 0.86 DHODH (0.63) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL4230222 0.85 DHODH (0.70) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL2459661 0.85 DHODH (0.72) DHODHCYP3A4
Hydrochloric Acid SCHEMBL6848801 0.85 DHODH (0.61) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL5945357 0.85 PDE10A (0.68) PDE10ATSHRDHODHTACR3SMN1; SMN2
SCHEMBL1581468 0.84 PDE10A (1.00) PDE10ATSHRDHODHKMT2ACYP2C19
SCHEMBL2373011 0.84 DHODH (0.58) PDE10ATSHRDHODHTACR3SMN1; SMN2

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-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
EP-2549872-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 US disclosed
EP-1131294-B1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2006-12-20 EP disclosed
EP-1334088-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-08-13 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed
WO-2002044154-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed
WO-2002044165-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed
WO-2002038548-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-05-16 WO disclosed
WO-2002038547-A1 QUINOLINE DERIVATIVES AS NK-3 AND NK-2 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-05-16 WO disclosed
EP-1131294-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031038-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 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-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists TACR3, GRIK3, TACR2 PDE10A 2035/4885TSHR 971/4885DHODH 3942/4885
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists KCNK3, KCNQ3, ACKR3 PDE10A 1523/4885TSHR 340/4885DHODH 2897/4885
US-20130012499-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV5 PDE10A 2268/4885TSHR 2692/4885DHODH 2190/4885

“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.