SCHEMBL6428018

SCHEMBL6428018

NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 15/20 0.70
TACR2 P21452 7/20 0.70
TACR3 P29371 7/20 0.70
OPRM1 P35372 3/20 0.69
KCNH2 Q12809 1/20 0.57
CACNA1C Q13936 1/20 0.57
SCN5A Q14524 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
SCHEMBL2373330 0.92 TRPV4 (0.72) TRPV4TACR2TACR3OPRM1KCNH2
Hydrochloric Acid SCHEMBL5733490 0.91 TRPV4 (0.71) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5203642 0.88 TRPV4 (0.73) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945397 0.85 TACR3 (0.77) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5945344 0.85 TRPV4 (0.80) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5443753 0.85 TRPV4 (0.64) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL6855974 0.83 TACR3 (0.70) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5732536 0.83 TACR2 (0.71) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL5447103 0.83 TRPV4 (0.75) TRPV4TACR2TACR3OPRM1KCNH2
SCHEMBL2514030 0.82 TRPV4 (0.81) TRPV4TACR2TACR3OPRM1

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-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS 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 (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-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN TRPV4 1507/4885TACR2 1103/4885TACR3 3323/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN TRPV4 1507/4885TACR2 1103/4885TACR3 3323/4885

“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.