SCHEMBL2713499

SCHEMBL2713499

CC(=O)Nc1cc(C(=O)NCc2cc(C)c(OCC(F)F)c(C)c2)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
CCR3 P51677 2/20 0.36
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KLKB1 P03952 1/20 0.34
MAP4K1 Q92918 1/20 0.34
GAA P10253 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
MMP13 P45452 1/20 0.33
RIPK1 Q13546 1/20 0.33
EPHX2 P34913 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL2714698 0.90 SCN9A (0.48) SCN9ACCR3ALDH1A1KDM4EMEN1
SCHEMBL2716526 0.88 SCN9A (0.38) SCN9ACCR3ALDH1A1CHRNB2CHRNB4
SCHEMBL2715554 0.87 SCN9A (0.42) SCN9ACCR3ALDH1A1CHRNB2CHRNB4
SCHEMBL2717551 0.87 CYP3A4 (0.39) SCN9ACCR3ALDH1A1KDM4EMEN1
SCHEMBL2718506 0.86 CHRNB2 (0.39) SCN9AALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2715594 0.86 GSK3B (0.46) SCN9AKLKB1MAP4K1MAPTGSK3B
SCHEMBL2717539 0.83 SCN9A (0.37) SCN9AALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2716501 0.82 SCN9A (0.44) SCN9AALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2715547 0.82 PTGES (0.43) SCN9ACCR3ALDH1A1KDM4EMEN1
SCHEMBL18266554 0.82 SCN9A (0.39) SCN9ACCR3ALDH1A1CHRNB2CHRNB4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN claimed
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
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN 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 31/4885CCR3 4485/4885ALDH1A1 1358/4885

“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.