SCHEMBL9896548

SCHEMBL9896548

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.41
GCGR P47871 11/20 0.38
DHODH Q02127 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
GIPR P48546 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.36
RAPGEF3 O95398 2/20 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
SCHEMBL9894697 0.91 TRPV1 (0.41) TRPV1GCGRDHODHCYP3A4CYP2C8
SCHEMBL205432 0.91 TRPV1 (0.43) TRPV1GCGRDHODHRAPGEF3
SCHEMBL9897780 0.90 TRPV1 (0.40) TRPV1GCGRDHODHMCHR1RAPGEF3
SCHEMBL205272 0.89 TRPV1 (0.44) TRPV1GCGRDHODHCYP3A4CYP2C8
SCHEMBL202741 0.88 TRPV1 (0.45) TRPV1GCGRDHODHCYP3A4CYP2C8
SCHEMBL205770 0.87 TRPV1 (0.42) TRPV1GCGRDHODHCYP3A4CYP2C8
SCHEMBL203091 0.87 TRPV1 (0.42) TRPV1GCGRDHODHRAPGEF3
SCHEMBL205772 0.86 TRPV1 (0.42) TRPV1GCGRDHODHRAPGEF3
SCHEMBL9896545 0.85 TRPV1 (0.41) TRPV1GCGRDHODHCYP3A4CYP2C8
SCHEMBL204709 0.84 TRPV1 (0.46) TRPV1GCGRDHODHCYP3A4CYP2C8

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 1177/4885DHODH 2886/4885

“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.