SCHEMBL2713700

SCHEMBL2713700

CC(C)C(=O)Nc1cc(C(=O)N[C@H](C)c2cccc(OC(F)(F)C(F)(F)F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.47
MAPT P10636 2/20 0.47
ROCK1 Q13464 13/20 0.46
ROCK2 O75116 13/20 0.46
PRKACA P17612 5/20 0.46
PRKG1 Q13976 5/20 0.46
AKT1 P31749 3/20 0.46
CYP2C9 P11712 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
KCNK2 O95069 1/20 0.45
KCNA5 P22460 1/20 0.45
KCNH2 Q12809 1/20 0.45
KCNB1 Q14721 1/20 0.45
MAPK1 P28482 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL2713704 1.00 GSK3B (0.47) GSK3BMAPTROCK1ROCK2PRKACA
SCHEMBL2715785 0.92 MAPK1 (0.49) GSK3BMAPTROCK1ROCK2PRKACA
SCHEMBL2715596 0.91 ACACB (0.50) GSK3BROCK1ROCK2PRKACAPRKG1
SCHEMBL2715595 0.91 ACACB (0.50) GSK3BROCK1ROCK2PRKACAPRKG1
SCHEMBL2717140 0.91 KCNK2 (0.47) GSK3BMAPTROCK1ROCK2PRKACA
SCHEMBL2715776 0.89 MAPT (0.48) GSK3BMAPTMAPK1MEN1LMNA
SCHEMBL2713712 0.89 ROCK1 (0.49) GSK3BROCK1ROCK2PRKACAPRKG1
SCHEMBL2713710 0.89 ROCK1 (0.49) GSK3BROCK1ROCK2PRKACAPRKG1
SCHEMBL2715734 0.88 ROCK2 (0.49) GSK3BMAPTROCK1ROCK2PRKACA
SCHEMBL2715733 0.88 ROCK2 (0.49) GSK3BMAPTROCK1ROCK2PRKACA

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 GSK3B 4093/4885MAPT 3185/4885ROCK1 4570/4885

“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.