SCHEMBL2718796

SCHEMBL2718796

CCC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)(F)C(F)F)c(C)c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
GSK3B P49841 9/20 0.40
MAPT P10636 7/20 0.40
GSK3A P49840 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAK O14976 1/20 0.37
ROCK2 O75116 1/20 0.37
CHRNA1 P02708 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNA7 P36544 1/20 0.37
NR2C2 P49116 1/20 0.37
TAB1 Q15750 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL2714209 0.91 SCN9A (0.42) SCN9AGSK3BMAPTGSK3ASMN1; SMN2
SCHEMBL2717376 0.91 GSK3B (0.46) SCN9AGSK3BMAPTGSK3ASMN1; SMN2
SCHEMBL2715353 0.90 GSK3B (0.50) GSK3BMAPTGSK3A
SCHEMBL2713739 0.90 SCN9A (0.52) SCN9AGSK3BMAPTGSK3ASMN1; SMN2
SCHEMBL2717705 0.88 GSK3B (0.47) SCN9AGSK3BMAPTGSK3ASMN1; SMN2
SCHEMBL27913571 0.86 L3MBTL1 (0.41) MAPTSMN1; SMN2HTTKMT2AL3MBTL1
SCHEMBL2715107 0.86 HDAC1 (0.41) SCN9AGSK3BMAPTGSK3ASMN1; SMN2
SCHEMBL27913599 0.84 SMN1; SMN2 (0.51) MAPTSMN1; SMN2HTTKMT2AL3MBTL1
SCHEMBL2716411 0.84 GSK3B (0.41) SCN9AGSK3BMAPTGSK3ASMN1; SMN2
SCHEMBL2715521 0.82 GSK3B (0.46) SCN9AGSK3BMAPTGSK3ASMN1; SMN2

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 14 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
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 SCN9A 31/4885GSK3B 4093/4885MAPT 3185/4885

“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.