SCHEMBL15023683

SCHEMBL15023683

NC(c1ccc(OC(F)(F)F)cc1F)c1ncccc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.44
PDE2A O00408 7/20 0.43
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.37
IDO1 P14902 1/20 0.36
RUNX1 Q01196 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
CYP1A2 P05177 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL14406941 1.00 CBFB (0.44) CBFBPDE2AALOX5APFEN1TRPM8
SCHEMBL14405628 0.82 TRPM8 (0.43) CBFBPDE2ATRPM8SCN10A
SCHEMBL15021788 0.82 TRPM8 (0.43) CBFBPDE2ATRPM8SCN10A
SCHEMBL14407052 0.74 TRPM8 (0.59) PDE2ATRPM8GPR139
SCHEMBL14405547 0.74 TRPM8 (0.59) PDE2ATRPM8GPR139
Hydrochloric Acid SCHEMBL14333228 0.73 TRPM8 (0.58) PDE2ATRPM8GPR139
Hydrochloric Acid SCHEMBL14333226 0.73 TRPM8 (0.58) PDE2ATRPM8GPR139
SCHEMBL30557811 0.72 PDE2A (0.60) PDE2AALOX5APFEN1SCN10AGPR139
SCHEMBL16043293 0.72 PDE2A (0.60) PDE2AALOX5APFEN1SCN10AGPR139
SCHEMBL17769060 0.72 PDE2A (0.60) PDE2AALOX5APFEN1SCN10AGPR139

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
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (3 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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CBFB 3837/4885PDE2A 1011/4885ALOX5AP 1597/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CBFB 3837/4885PDE2A 1011/4885ALOX5AP 1597/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CBFB 3837/4885PDE2A 1011/4885ALOX5AP 1597/4885

“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.