SCHEMBL5447103

SCHEMBL5447103

O=C(O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 17/20 0.75
TACR2 P21452 5/20 0.63
TACR3 P29371 5/20 0.63
KCNH2 Q12809 1/20 0.63
CACNA1C Q13936 1/20 0.63
SCN5A Q14524 1/20 0.63
OPRM1 P35372 2/20 0.61

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
SCHEMBL5945421 0.91 TRPV4 (0.67) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373330 0.91 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL5945326 0.90 TRPV4 (0.66) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL5443753 0.90 TRPV4 (0.64) TRPV4TACR2TACR3KCNH2CACNA1C
Hydrochloric Acid SCHEMBL2372824 0.90 TRPV4 (0.80) TRPV4TACR2TACR3KCNH2CACNA1C
Hydrochloric Acid SCHEMBL5733490 0.90 TRPV4 (0.71) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL5945443 0.86 TACR2 (0.85) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372248 0.85 TRPV4 (0.70) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL5448374 0.83 TRPV4 (0.59) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6428018 0.83 TRPV4 (0.70) TRPV4TACR2TACR3KCNH2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US claimed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US claimed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 US claimed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US claimed
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 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
US-20060161004-A1 Novel compounds GLAXOSMITHKLINE SPA 2006-07-20 US disclosed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 US disclosed
US-20050070574-A1 Novel compounds GLAXOSMITHKLINE SPA AND LABORATOIRE 2005-03-31 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 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
US-20040102633-A1 Novel compounds GLAXOSMITHKLINE S.P.A. (IT) 2004-05-27 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 (8 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-20050070574-A1 Novel compounds NR1H3, NR1H2, CNR1 TRPV4 1565/4885TACR2 52/4885TACR3 301/4885
US-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN TRPV4 1507/4885TACR2 1103/4885TACR3 3323/4885
US-20040152726-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists KCNH2, KCNH3, KCNJ8 TRPV4 1268/4885TACR2 56/4885TACR3 149/4885
US-20060161004-A1 Novel compounds SLC10A1, ABCB11, AQP1 TRPV4 1307/4885TACR2 862/4885TACR3 2824/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 TRPV4 395/4885TACR2 22/4885TACR3 45/4885
US-20040102633-A1 Novel compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, NR1H3 TRPV4 2393/4885TACR2 155/4885TACR3 1027/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN TRPV4 1507/4885TACR2 1103/4885TACR3 3323/4885
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 TRPV4 395/4885TACR2 22/4885TACR3 45/4885

“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.