SCHEMBL2715322

SCHEMBL2715322

COc1cc(OC(F)(F)F)ccc1CNC(=O)c1ccnc(NC(=O)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
GSK3B P49841 4/20 0.50
SCN9A Q15858 1/20 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
KCNB1 Q14721 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
EPHX2 P34913 3/20 0.42
NAMPT P43490 1/20 0.42
LCLAT1 Q6UWP7 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) MAPTADORA3PPARGPPARDPPARA
SCHEMBL2715359 0.89 EPHX2 (0.49) MAPTGSK3BADORA3PPARGPPARD
SCHEMBL2717549 0.87 GSK3B (0.54) MAPTGSK3BALDH1A1TSHRNPSR1
SCHEMBL2713250 0.87 RIPK1 (0.52) MAPTGSK3BSCN9ARIPK1ROCK2
SCHEMBL2716543 0.86 ADORA3 (0.49) MAPTSCN9AADORA3PPARGPPARD
SCHEMBL2715063 0.85 EPHX2 (0.54) MAPTGSK3BSCN9APPARGPPARA
SCHEMBL2715103 0.83 KCNB1 (0.60) MAPTGSK3BSCN9AKCNB1ROCK2
SCHEMBL2715265 0.80 SCN9A (0.49) MAPTGSK3BSCN9AKCNB1ALDH1A1
SCHEMBL2717564 0.80 MAPT (0.51) MAPTGSK3BSCN9APPARGRIPK1
SCHEMBL22798235 0.79 SCN9A (0.64) MAPTGSK3BSCN9APPARDPPARA

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 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.