SCHEMBL14480271

SCHEMBL14480271

CCS(=O)(=O)c1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.72
NR1I2 O75469 1/20 0.70
TACR2 P21452 2/20 0.62
TACR3 P29371 2/20 0.62
KCNH2 Q12809 1/20 0.62
CACNA1C Q13936 1/20 0.62
SCN5A Q14524 1/20 0.62

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
SCHEMBL19857004 1.00 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6897352 0.96 TRPV4 (0.71) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19857005 0.96 TRPV4 (0.71) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553178 0.94 TRPV4 (0.73) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL6900725 0.94 TRPV4 (0.73) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480405 0.94 TRPV4 (0.82) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14480243 0.93 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19856998 0.93 TRPV4 (0.83) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL14553172 0.90 TRPV4 (0.69) TRPV4NR1I2TACR2TACR3KCNH2
SCHEMBL19856985 0.90 TRPV4 (0.72) TRPV4NR1I2TACR2TACR3KCNH2

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 12 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

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 1/4885NR1I2 724/4885TACR2 258/4885

“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.