SCHEMBL2713828

SCHEMBL2713828

CCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
ACACB O00763 7/20 0.42
PDE2A O00408 4/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CNR2 P34972 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACACA Q13085 1/20 0.39
SCN9A Q15858 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL2717501 0.90 ACACB (0.47) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2717279 0.90 SCN9A (0.49) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2718591 0.89 PDE2A (0.52) PDE2A
SCHEMBL2714159 0.88 CACNA1I (0.52) CHRNB2CHRNB4CHRNA3CHRNA4PDE2A
SCHEMBL2713996 0.88 EPHX2 (0.40) PDE2ASCN9AP2RX3P2RX2
SCHEMBL2714161 0.88 CACNA1I (0.52) CHRNB2CHRNB4CHRNA3CHRNA4PDE2A
SCHEMBL2716907 0.87 SCN9A (0.42) PDE2ASMN1; SMN2SCN9AALDH1A1
SCHEMBL2717402 0.87 ACACB (0.53) LMNAACACBPDE2ACACNA1GCACNA1H
SCHEMBL2715523 0.86 EPHX2 (0.39) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2714058 0.84 SCN9A (0.45) SCN9AP2RX3P2RX2

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 15 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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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 LMNA 1841/4885CHRNB2 150/4885CHRNB4 179/4885

“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.