SCHEMBL5451916

SCHEMBL5451916

O=C(O)c1c(CN2CCN(CCN3CCCC3)C(=O)C2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.49
TACR2 P21452 14/20 0.49
KCNH2 Q12809 3/20 0.48
OPRM1 P35372 6/20 0.45
TRPV4 Q9HBA0 2/20 0.43
DHODH Q02127 1/20 0.43
PDE10A Q9Y233 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5908871 0.99 TACR3 (0.51) TACR3TACR2KCNH2OPRM1TRPV4
SCHEMBL5448850 0.93 TACR3 (0.49) TACR3TACR2KCNH2OPRM1TRPV4
SCHEMBL5450782 0.92 TACR3 (0.51) TACR3TACR2KCNH2OPRM1DHODH
SCHEMBL5908752 0.90 TACR2 (0.48) TACR3TACR2KCNH2OPRM1DHODH
SCHEMBL5438840 0.89 TACR2 (0.48) TACR3TACR2KCNH2OPRM1DHODH
SCHEMBL5908771 0.89 TACR3 (0.50) TACR3TACR2KCNH2OPRM1DHODH
SCHEMBL5447099 0.88 DHODH (0.51) TACR3TACR2KCNH2DHODH
SCHEMBL5414261 0.88 TACR2 (0.47) TACR3TACR2KCNH2OPRM1DHODH
SCHEMBL5424841 0.87 TACR3 (0.52) TACR3TACR2KCNH2OPRM1DHODH
SCHEMBL5445446 0.87 TACR2 (0.52) TACR3TACR2KCNH2OPRM1DHODH

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 TACR3 149/4885TACR2 56/4885KCNH2 1/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 TACR3 45/4885TACR2 22/4885KCNH2 21/4885
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 TACR3 45/4885TACR2 22/4885KCNH2 21/4885

“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.