SCHEMBL5931004

SCHEMBL5931004

CC(C)[C@H](NC(=O)c1c(CN2CCN(S(=O)(=O)CCC(=O)O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.73
TACR3 P29371 17/20 0.73
OPRM1 P35372 9/20 0.73
TRPV4 Q9HBA0 3/20 0.55

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
SCHEMBL5931065 0.93 TACR3 (0.70) TACR2TACR3OPRM1TRPV4
SCHEMBL6853646 0.86 TACR2 (0.77) TACR2TACR3OPRM1TRPV4
SCHEMBL6902393 0.83 TACR2 (0.80) TACR2TACR3OPRM1TRPV4
SCHEMBL5908766 0.83 TACR2 (0.80) TACR2TACR3OPRM1TRPV4
SCHEMBL5908764 0.83 TACR2 (0.71) TACR2TACR3OPRM1TRPV4
SCHEMBL7169184 0.83 TACR2 (0.71) TACR2TACR3OPRM1TRPV4
SCHEMBL5909035 0.80 TACR2 (0.75) TACR2TACR3OPRM1TRPV4
SCHEMBL6848770 0.80 TACR2 (0.75) TACR2TACR3OPRM1TRPV4
SCHEMBL27563368 0.80 TACR2 (0.74) TACR2TACR3OPRM1TRPV4
SCHEMBL5908978 0.77 TACR2 (0.69) TACR2TACR3OPRM1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235026-A1 Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2006-10-19 US disclosed
US-20040077658-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-04-22 US 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-2002038548-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-05-16 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 (2 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-20060235026-A1 Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists CNR1, HRH4, HRH3 TACR2 7/4885TACR3 26/4885OPRM1 150/4885
US-20040077658-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 TACR2 17/4885TACR3 99/4885OPRM1 78/4885

“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.