SCHEMBL2716103

SCHEMBL2716103

Cc1cc(C(=O)NC(C)c2ccnc(OCC(F)(F)F)c2)cc(NC(=O)C(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
MAPT P10636 5/20 0.47
GSK3B P49841 4/20 0.47
KCNB1 Q14721 3/20 0.45
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.38
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CYP2C9 P11712 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
AKT1 P31749 1/20 0.35
PRKG1 Q13976 1/20 0.35
ACACB O00763 1/20 0.35
MAPK1 P28482 2/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2715523 0.90 EPHX2 (0.39) SCN9AMAPTGSK3BKCNB1EPHX2
SCHEMBL2714778 0.89 GSK3B (0.59) SCN9AMAPTGSK3BKCNB1EPHX2
SCHEMBL2717628 0.87 SCN9A (0.49) SCN9AMAPTGSK3BEPHX2P2RX3
SCHEMBL2717279 0.86 SCN9A (0.49) SCN9AMAPTGSK3BP2RX3P2RX2
SCHEMBL2714174 0.85 SCN9A (0.47) SCN9AMAPTGSK3BKCNB1ROCK2
SCHEMBL2717396 0.84 SCN9A (0.52) SCN9AMAPTGSK3BKCNB1KCNA5
SCHEMBL2715900 0.84 SCN9A (0.51) SCN9AMAPTGSK3BKCNB1EPHX2
SCHEMBL2715925 0.82 SCN9A (0.56) SCN9AMAPTGSK3BP2RX3P2RX2
SCHEMBL15350081 0.82 EPHX2 (0.46) SCN9AMAPTGSK3BEPHX2CYP2C9
SCHEMBL2713235 0.81 SCN9A (0.53) SCN9AMAPTGSK3BP2RX3P2RX2

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

“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.