SCHEMBL2716031

SCHEMBL2716031

CC(=O)Nc1cc(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
SCN9A Q15858 1/20 0.37
RIPK1 Q13546 2/20 0.35
PIK3CA P42336 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
TACR1 P25103 4/20 0.33
ADORA3 P0DMS8 2/20 0.33
PHGDH O43175 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR3 P51677 3/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL2715735 0.87 GSK3B (0.42) SCN9ARIPK1PIK3CAGPBAR1TACR1
SCHEMBL2717016 0.85 GRM5 (0.41) GRM5SCN9AHCRTR1HCRTR2TACR1
SCHEMBL2712842 0.83 SCN9A (0.45) SCN9ARIPK1PIK3CA
SCHEMBL2717407 0.82 SCN9A (0.41) SCN9ARIPK1PIK3CAHCRTR1HCRTR2
SCHEMBL2714027 0.78 GSK3B (0.41) SCN9AGPBAR1TACR1
SCHEMBL2715030 0.78 RIPK1 (0.38) GRM5SCN9ARIPK1PIK3CAHCRTR1
SCHEMBL2716166 0.76 SCN9A (0.46) SCN9ARIPK1PIK3CA
SCHEMBL2715839 0.76 SCN9A (0.39) SCN9ARIPK1PIK3CAHCRTR1HCRTR2
SCHEMBL2716160 0.75 GSK3B (0.42) GRM5MEN1KMT2ACCR3
SCHEMBL2715479 0.75 SCN9A (0.45) SCN9ARIPK1

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-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A GRM5 306/4885SCN9A 31/4885RIPK1 4666/4885

“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.