SCHEMBL2716477

SCHEMBL2716477

CC(NC(=O)c1cc(-c2ccccc2)n(C)n1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.54
HCRTR1 O43613 8/20 0.48
HCRTR2 O43614 8/20 0.48
MME P08473 1/20 0.44
EPHX2 P34913 1/20 0.43
GRM5 P41594 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
PDE2A O00408 2/20 0.41

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
SCHEMBL2718230 0.81 TP53 (0.48) EPHX2
SCHEMBL16233075 0.81 EPHX2 (0.44) HCRTR1HCRTR2EPHX2PDE2A
SCHEMBL27913561 0.80 ACACB (0.53) HCRTR1HCRTR2EPHX2CACNA1GCACNA1H
SCHEMBL2714138 0.79 EPHX2 (0.45) HCRTR1HCRTR2EPHX2PDE2A
SCHEMBL2716401 0.78 KCNT1 (0.53)
SCHEMBL2714711 0.78 PTGER4 (0.49) HCRTR1HCRTR2EPHX2
SCHEMBL2714666 0.78 KDM4E (0.56) HCRTR1HCRTR2EPHX2
SCHEMBL2714348 0.77 ALDH1A1 (0.50) HCRTR1HCRTR2EPHX2
SCHEMBL2713970 0.77 GRN (0.49) EPHX2
SCHEMBL2714296 0.77 KCNT1 (0.47) PHGDH

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 13 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
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
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
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 PHGDH 3672/4885HCRTR1 436/4885HCRTR2 260/4885

“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.