SCHEMBL2715359

SCHEMBL2715359

CCC(=O)Nc1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2OC)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
ADORA3 P0DMS8 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
RIPK1 Q13546 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.42
NAMPT P43490 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
HPGD P15428 1/20 0.41
LCLAT1 Q6UWP7 1/20 0.41
LMNA P02545 1/20 0.41
DDR1 Q08345 1/20 0.41

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
SCHEMBL2714541 0.91 EPHX2 (0.48) EPHX2ADORA3PPARGPPARDPPARA
SCHEMBL2717549 0.89 GSK3B (0.54) ALDH1A1TSHRNPSR1MAPTGSK3A
SCHEMBL2715322 0.89 MAPT (0.50) EPHX2ADORA3PPARGPPARDPPARA
SCHEMBL2716300 0.87 RIPK1 (0.52) RIPK1ROCK2
SCHEMBL2715999 0.84 EPHX2 (0.55) EPHX2PPARGPPARAALDH1A1NAMPT
SCHEMBL2715983 0.82 ROCK2 (0.58) ROCK2ROCK1NAMPTHPGDLMNA
SCHEMBL18266578 0.81 EPHX2 (0.44) EPHX2RIPK1MAPTGSK3AGSK3B
SCHEMBL2715197 0.80 NTRK1 (0.45) EPHX2PPARGRIPK1ROCK2ROCK1
SCHEMBL2717026 0.79 SCN10A (0.45) EPHX2PPARGPPARAALDH1A1ROCK2
SCHEMBL22797817 0.78 SCN9A (0.49) PPARGPPARDPPARAGSK3AGSK3B

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-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
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
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 EPHX2 2460/4885ADORA3 1859/4885PPARG 2807/4885

“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.