SCHEMBL9897782

SCHEMBL9897782

CC(C)(C(C#N)(Cn1nc2ccc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
GCGR P47871 7/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
DDR1 Q08345 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
DHODH Q02127 1/20 0.37
ABL1 P00519 1/20 0.37
RAPGEF3 O95398 1/20 0.36
PREP P48147 1/20 0.36
CCR9 P51686 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL204527 0.91 TRPV1 (0.44) TRPV1GCGRDDR1DHODHABL1
SCHEMBL204709 0.85 TRPV1 (0.46) TRPV1GCGREPHX2NR1H4DHODH
SCHEMBL205772 0.84 TRPV1 (0.42) TRPV1GCGREPHX2NR1H4DDR1
SCHEMBL205272 0.82 TRPV1 (0.44) TRPV1GCGRDHODHABL1RAPGEF3
SCHEMBL9897779 0.82 GCGR (0.40) TRPV1GCGREPHX2NR1H4DDR1
SCHEMBL9897780 0.82 TRPV1 (0.40) TRPV1GCGREPHX2NR1H4TRPM8
SCHEMBL202741 0.81 TRPV1 (0.45) TRPV1GCGRDHODHABL1RAPGEF3
SCHEMBL205432 0.81 TRPV1 (0.43) TRPV1GCGRDHODHABL1RAPGEF3
SCHEMBL203091 0.80 TRPV1 (0.42) TRPV1GCGRDHODHRAPGEF3
SCHEMBL205770 0.80 TRPV1 (0.42) TRPV1GCGRDHODHABL1RAPGEF3

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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR TRPV1 4024/4885GCGR 1177/4885EPHX2 403/4885

“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.