SCHEMBL2715063

SCHEMBL2715063

CC(C)C(=O)Nc1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
NR1H4 Q96RI1 1/20 0.54
HTR2C P28335 1/20 0.53
SCN9A Q15858 1/20 0.52
MAPT P10636 4/20 0.52
GSK3B P49841 4/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 4/20 0.50
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.48
NTRK1 P04629 1/20 0.47
KCNB1 Q14721 1/20 0.47

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
SCHEMBL18266435 0.92 SCN9A (0.51) EPHX2NR1H4HTR2CSCN9AMAPT
SCHEMBL2715103 0.89 KCNB1 (0.60) HTR2CSCN9AMAPTGSK3BNTRK1
SCHEMBL2714984 0.89 EPHX2 (0.57) EPHX2NR1H4HTR2CGSK3BALDH1A1
SCHEMBL2715265 0.88 SCN9A (0.49) EPHX2NR1H4HTR2CSCN9AMAPT
SCHEMBL2713250 0.87 RIPK1 (0.52) SCN9AMAPTGSK3B
SCHEMBL2715999 0.87 EPHX2 (0.55) EPHX2NR1H4HTR2CGSK3BALDH1A1
SCHEMBL2714991 0.86 MAPT (0.56) EPHX2NR1H4SCN9AMAPTGSK3B
SCHEMBL2717028 0.86 MAPT (0.51) SCN9AMAPTGSK3BPPARGPPARA
SCHEMBL2715551 0.86 MAPT (0.51) SCN9AMAPTGSK3BKCNB1SCN3A
SCHEMBL2715370 0.86 MAPT (0.51) SCN9AMAPTGSK3BKCNB1SCN3A

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 1493/4885HTR2C 1121/4885

“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.