SCHEMBL25601320

SCHEMBL25601320

Cc1ccc(C(F)(F)F)c(C2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HTR2C P28335 4/20 0.41
SYK P43405 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR2A P28223 4/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2B P41595 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HTR7 P34969 1/20 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
SCHEMBL19199750 0.93 NOTUM (0.48) NOTUMPTGDR2HTR2CSYKCHRNB2
SCHEMBL18946083 0.86 NOTUM (0.48) NOTUMPTGDR2HTR2CSYKCHRNB2
SCHEMBL22864314 0.84 CHRNB2 (0.37) NOTUMPTGDR2HTR2CSYKCHRNB2
SCHEMBL13271330 0.84 NOTUM (0.47) NOTUMPTGDR2HTR2CSYKCHRNB2
SCHEMBL22083833 0.82 NOTUM (0.48) NOTUMPTGDR2HTR2CSYKCHRNB2
SCHEMBL17454143 0.80 NOTUM (0.43) NOTUMPTGDR2HTR2CCHRNB2CHRNA4
SCHEMBL16957247 0.78 NOTUM (0.54) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL24728251 0.77 RBP4 (0.50) HTR2ARBP4
SCHEMBL10206355 0.76 PTGDR2 (0.45) PTGDR2CHRNB2CHRNA4TDP1NPC1
SCHEMBL16762158 0.75 NOTUM (0.42) NOTUMHTR2CHTR2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11674163-B2 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) 2023-06-13 US 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-11674163-B2 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 S1PR1, S1PR5, S1PR2 NOTUM 3920/4885PTGDR2 254/4885HTR2C 1465/4885

“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.