SCHEMBL1369977

SCHEMBL1369977

Cc1cccnc1N1CC=C(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H](C)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.69
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
TGM3 Q08188 1/20 0.44
ABL1 P00519 1/20 0.40
GRM4 Q14833 1/20 0.39

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
SCHEMBL1366858 1.00 TRPV1 (0.69) TRPV1F13A1TGM2TGM1TGM3
SCHEMBL1367023 0.90 TRPV1 (0.68) TRPV1F13A1TGM2TGM1
SCHEMBL1367837 0.90 TRPV1 (0.77) TRPV1GRM4
SCHEMBL1369414 0.90 TRPV1 (0.68) TRPV1F13A1TGM2TGM1
SCHEMBL1366851 0.90 TRPV1 (0.68) TRPV1F13A1TGM2TGM1
SCHEMBL1367834 0.90 TRPV1 (0.77) TRPV1GRM4
SCHEMBL1368885 0.87 TRPV1 (0.65) TRPV1
SCHEMBL1367895 0.87 TRPV1 (0.65) TRPV1
SCHEMBL1369510 0.87 TRPV1 (0.65) TRPV1
SCHEMBL1368884 0.87 TRPV1 (0.81) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2011-11-24 US disclosed
US-7998982-B2 Amide derivatives as TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
US-20090062345-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-03-05 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 (2 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-20090062345-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPA1 TRPV1 1/4885F13A1 2945/4885TGM2 4306/4885
US-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPA1 TRPV1 1/4885F13A1 2945/4885TGM2 4306/4885

“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.