SCHEMBL2714976

SCHEMBL2714976

OCc1ccc(OCC(F)(F)C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 2/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
CNR2 P34972 1/20 0.33
DGAT1 O75907 2/20 0.33
SCN9A Q15858 3/20 0.32
EPHX2 P34913 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2J2 P51589 1/20 0.31

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
SCHEMBL9388169 0.86 L3MBTL1 (0.57) L3MBTL1POLBMAPK1TRPV1MAPT
SCHEMBL30484228 0.86 L3MBTL1 (0.57) L3MBTL1POLBMAPK1TRPV1MAPT
SCHEMBL2714106 0.83 L3MBTL1 (0.43) L3MBTL1POLBMAPK1TRPV1MAPT
SCHEMBL4550753 0.83 L3MBTL1 (0.40) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL2714125 0.83 L3MBTL1 (0.40) L3MBTL1POLBMAPK1MAPTCACNA1G
Hydrochloric Acid SCHEMBL2714047 0.82 L3MBTL1 (0.39) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL2718559 0.81 L3MBTL1 (0.41) L3MBTL1POLBMAPK1TRPV1MAPT
SCHEMBL30612233 0.77 ENPP2 (0.37) L3MBTL1TRPV1EPHX2CYP1A2CYP2C9
SCHEMBL21922351 0.77 ENPP2 (0.37) L3MBTL1TRPV1EPHX2CYP1A2CYP2C9
SCHEMBL28399076 0.77 S1PR1 (0.36) L3MBTL1POLBMAPK1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP 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-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
EP-2914597-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-09-09 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2014068988-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-05-08 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 L3MBTL1 2429/4885POLB 4126/4885MAPK1 3779/4885
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G L3MBTL1 2705/4885POLB 3258/4885MAPK1 3223/4885

“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.