SCHEMBL2716263

SCHEMBL2716263

CCC(=O)Nc1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
NR1H4 Q96RI1 1/20 0.54
PPARA Q07869 4/20 0.51
PPARG P37231 2/20 0.51
HTR2C P28335 1/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 1/20 0.47
ADRB2 P07550 1/20 0.46
AKR1C3 P42330 1/20 0.46
CYP3A4 P08684 1/20 0.46
PPARD Q03181 2/20 0.45
SCN9A Q15858 1/20 0.44
NAMPT P43490 2/20 0.44

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
SCHEMBL2714428 0.90 EPHX2 (0.56) EPHX2NR1H4PPARAPPARGHTR2C
SCHEMBL2715895 0.89 MAPK14 (0.55) PPARAPPARGHTR2CAKR1C3PPARD
SCHEMBL2715106 0.88 WDR5 (0.41) EPHX2NR1H4PPARAPPARGHTR2C
SCHEMBL2714916 0.87 EPHX2 (0.53) EPHX2NR1H4PPARAPPARGHTR2C
SCHEMBL2713034 0.86 RIPK1 (0.44) EPHX2NR1H4SCN9A
SCHEMBL2714513 0.86 RIPK1 (0.54)
SCHEMBL2715999 0.84 EPHX2 (0.55) EPHX2NR1H4PPARAPPARGHTR2C
SCHEMBL2715325 0.84 ALDH1A1 (0.44) EPHX2PPARGALDH1A1CYP2C19SMN1; SMN2
SCHEMBL2713229 0.84 EPHX2 (0.54) EPHX2NR1H4GAASCN9ANAMPT
SCHEMBL18266281 0.82 ROCK2 (0.47) PPARAPPARGHPGDCYP2C9CYP2D6

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 2460/4885NR1H4 1493/4885PPARA 2843/4885

“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.