SCHEMBL5454531

SCHEMBL5454531

CC(C)NC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.69
TACR3 P29371 18/20 0.61
OPRM1 P35372 9/20 0.58
TRPV4 Q9HBA0 2/20 0.55
KCNH2 Q12809 1/20 0.53

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
SCHEMBL5455845 0.87 TACR2 (0.56) TACR2TACR3OPRM1KCNH2
SCHEMBL6851678 0.86 TACR3 (0.69) TACR2TACR3OPRM1TRPV4KCNH2
SCHEMBL5437389 0.86 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL6851699 0.85 TACR3 (0.67) TACR2TACR3OPRM1KCNH2
SCHEMBL6854969 0.84 TACR2 (0.63) TACR2TACR3OPRM1TRPV4KCNH2
SCHEMBL3962728 0.84 TACR2 (0.79) TACR2TACR3OPRM1TRPV4KCNH2
SCHEMBL5422517 0.84 TACR2 (0.53) TACR2TACR3OPRM1KCNH2
SCHEMBL27577059 0.83 TACR2 (0.68) TACR2TACR3OPRM1TRPV4KCNH2
Hydrochloric Acid SCHEMBL5732533 0.83 TACR2 (0.77) TACR2TACR3OPRM1TRPV4KCNH2
SCHEMBL5416281 0.83 TACR2 (0.52) TACR2TACR3OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377567-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2005-12-21 EP claimed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
EP-1377567-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2005-12-21 EP disclosed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 US disclosed
US-20040152726-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377567-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083663-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 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-20040152726-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists KCNH2, KCNH3, KCNJ8 TACR2 56/4885TACR3 149/4885OPRM1 374/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 TACR2 22/4885TACR3 45/4885OPRM1 733/4885
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 TACR2 22/4885TACR3 45/4885OPRM1 733/4885

“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.