SCHEMBL2714731

SCHEMBL2714731

CC(=O)c1cccc(OCC(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
UGCG Q16739 1/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.37
SCN9A Q15858 1/20 0.36
EPHX2 P34913 1/20 0.36
HPGDS O60760 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL30281209 0.86 L3MBTL1 (0.53) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL795791 0.86 L3MBTL1 (0.53) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL27931901 0.85 CNR2 (0.48) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL2717270 0.85 MAPT (0.59) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL30281288 0.84 CNR2 (0.44) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL28130141 0.84 CNR2 (0.59) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL18246933 0.82 P2RX7 (0.61) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL2712958 0.80 CNR2 (0.42) CNR2L3MBTL1MAPTKCNK3KCNK9
SCHEMBL7592835 0.80 MAPK8 (0.59) CNR2MAPTKCNK3KCNK9MAPK8
SCHEMBL15746900 0.79 ALDH1A1 (0.43) CNR2MAPTMAPK8ALDH1A1P2RX7

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 5 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 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

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 CNR2 360/4885L3MBTL1 2429/4885MAPT 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.