SCHEMBL2715529

SCHEMBL2715529

CC(C)C(=O)Nc1cc(C(=O)NCc2ccc(C(F)(F)F)c(F)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.52
MAPT P10636 8/20 0.52
GSK3B P49841 8/20 0.52
NTRK1 P04629 1/20 0.48
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
P2RX7 Q99572 1/20 0.44
NR3C2 P08235 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
ROS1 P08922 1/20 0.42
ALK Q9UM73 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2716842 0.93 NR3C2 (0.52) SCN9AMAPTGSK3BNTRK1PPARD
SCHEMBL2716720 0.88 SCN9A (0.57) SCN9AMAPTGSK3BP2RX7ROS1
SCHEMBL2715370 0.86 MAPT (0.51) SCN9AMAPTGSK3BP2RX7
SCHEMBL2715551 0.84 MAPT (0.51) SCN9AMAPTGSK3BROS1ALK
SCHEMBL2714991 0.84 MAPT (0.56) SCN9AMAPTGSK3BKDM1AHDAC1
SCHEMBL2715403 0.84 SCN9A (0.59) SCN9AMAPTGSK3BKDM1AHDAC1
SCHEMBL2717704 0.84 SCN9A (0.57) SCN9AMAPTGSK3BNR3C2
SCHEMBL2715620 0.83 SCN9A (0.56) SCN9AMAPTGSK3BKDM1AHDAC1
SCHEMBL2717522 0.83 SCN9A (0.51) SCN9AMAPTGSK3BPPARGP2RX7
SCHEMBL2716052 0.83 GSK3B (0.61) SCN9AMAPTGSK3BNTRK1

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 12 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
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.