SCHEMBL6900680

SCHEMBL6900680

CC(C)S(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)N[C@@H](C)c3ccccc3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.82
TACR2 P21452 2/20 0.71
TACR3 P29371 2/20 0.71
KCNH2 Q12809 1/20 0.71
CACNA1C Q13936 1/20 0.71
SCN5A Q14524 1/20 0.71
NR1I2 O75469 1/20 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
SCHEMBL19857027 0.94 TRPV4 (0.83) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6899351 0.94 TRPV4 (0.83) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6900647 0.94 TRPV4 (0.80) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL14480326 0.94 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6900271 0.94 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL14480363 0.94 TRPV4 (0.72) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6900677 0.94 TRPV4 (0.82) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL19856994 0.94 TRPV4 (0.82) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL6899360 0.94 TRPV4 (0.81) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2373446 0.93 TRPV4 (0.81) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed
EP-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP claimed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US claimed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US claimed
EP-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
EP-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (1 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-20130012499-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV5 TRPV4 1/4885TACR2 258/4885TACR3 230/4885

“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.