SCHEMBL2231906

SCHEMBL2231906

FC(F)(F)c1ccc(CCl)cc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
HTR2C P28335 2/20 0.38
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CNR2 P34972 1/20 0.34
SSTR5 P35346 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
RBP4 P02753 2/20 0.33
HTR2A P28223 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL13598353 0.97 NOTUM (0.40) NOTUMHTR2CNUDT1BACE1GAA
SCHEMBL13598350 0.93 NOTUM (0.44) NOTUMHTR2CSSTR5RBP4
SCHEMBL30066159 0.87 S1PR1 (0.41) NOTUMHTR2CS1PR1S1PR3
SCHEMBL932498 0.87 S1PR1 (0.41) NOTUMHTR2CS1PR1S1PR3
SCHEMBL3906129 0.86 S1PR1 (0.42) NOTUMS1PR1S1PR3
SCHEMBL3897505 0.84 NOTUM (0.40) NOTUMHTR2CALOX5APFEN1S1PR1
SCHEMBL31435310 0.84 NOTUM (0.40) NOTUMHTR2CALOX5APFEN1S1PR1
SCHEMBL3899152 0.84 KIF11 (0.44) NOTUMHTR2CNUDT1BACE1GAA
SCHEMBL3909468 0.81 KIF11 (0.44) NOTUMHTR2CNUDT1BACE1GAA
SCHEMBL3901815 0.80 NOTUM (0.44) NOTUMHTR2CSSTR5S1PR1S1PR3

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-2528894-A1 PROCESSES FOR THE PREPARATION OF (R)-2-(7-(4-CYCLOPENTYL-3-(TRIFLUOROMETHYL)BENZYLOXY)-1,2,3,4-TETRAHYDROCYCLOPENTA[B]INDOL-3-YL)ACETIC ACID AND SALTS THEREOF Arena Pharmaceuticals, Inc. (US) 2012-12-05 EP disclosed
WO-2011094008-A1 PROCESSES FOR THE PREPARATION OF (R)-2-(7-(4-CYCLOPENTYL-3-(TRIFLUOROMETHYL)BENZYLOXY)-1,2,3,4-TETRAHYDROCYCLOPENTA[B]INDOL-3-YL)ACETIC ACID AND SALTS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-08-04 WO disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 NOTUM 2224/4885HTR2C 423/4885NUDT1 3189/4885

“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.