SCHEMBL2717564

SCHEMBL2717564

CC(C)C(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2F)ccn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
GSK3B P49841 7/20 0.51
SCN9A Q15858 1/20 0.49
NTRK1 P04629 1/20 0.45
EPHX2 P34913 3/20 0.45
ALOX5 P09917 1/20 0.45
RIPK1 Q13546 3/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PPARG P37231 2/20 0.42
KCNB1 Q14721 1/20 0.42
HSD17B13 Q7Z5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2715414 0.90 RIPK1 (0.52) NTRK1EPHX2ALOX5RIPK1ROCK2
SCHEMBL2715197 0.89 NTRK1 (0.45) NTRK1EPHX2ALOX5RIPK1ROCK2
SCHEMBL2714691 0.86 RIPK1 (0.48) SCN9AEPHX2ALOX5RIPK1ROCK2
SCHEMBL2713580 0.86 GSK3B (0.50) MAPTGSK3B
SCHEMBL2717522 0.85 SCN9A (0.51) MAPTGSK3BSCN9AEPHX2ALOX5
SCHEMBL2715551 0.83 MAPT (0.51) MAPTGSK3BSCN9ARIPK1ROCK2
SCHEMBL2715370 0.83 MAPT (0.51) MAPTGSK3BSCN9AROCK2KCNB1
SCHEMBL2713250 0.82 RIPK1 (0.52) MAPTGSK3BSCN9ARIPK1ROCK2
SCHEMBL2715103 0.82 KCNB1 (0.60) MAPTGSK3BSCN9ANTRK1ROCK2
SCHEMBL2717028 0.81 MAPT (0.51) MAPTGSK3BSCN9ANTRK1ROCK2

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 MAPT 3185/4885GSK3B 4093/4885SCN9A 31/4885

“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.