SCHEMBL1367061

SCHEMBL1367061

C[C@@H]1CN(c2ncccc2Cl)CC=C1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.52
HSD11B1 P28845 3/20 0.43
TRPA1 O75762 3/20 0.37
MALT1 Q9UDY8 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL1367830 1.00 TRPV1 (0.52) TRPV1HSD11B1TRPA1MALT1PDE4A
SCHEMBL1367831 1.00 TRPV1 (0.52) TRPV1HSD11B1TRPA1MALT1PDE4A
SCHEMBL1366697 0.88 TRPV1 (0.43) TRPV1HSD11B1MALT1
SCHEMBL1368769 0.87 HSD11B1 (0.47) TRPV1HSD11B1
SCHEMBL8296999 0.77 TRPV1 (0.53) TRPV1HSD11B1TRPA1
SCHEMBL2762077 0.73 DRD2 (0.39)
SCHEMBL2762076 0.73 DRD2 (0.39)
SCHEMBL915459 0.73 DRD2 (0.39)
SCHEMBL2688588 0.72 TRPV1 (0.36) TRPV1PDE4APDE4CPDE4D
SCHEMBL1367834 0.71 TRPV1 (0.77) TRPV1HSD11B1TRPA1MALT1

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-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
EP-2185538-A2 TETRAHYDROPYRIDINE CARBOXAMIDE DERIVATIVES AS TRPVL ANTAGONISTS Abbott Laboratories (US) 2010-05-19 EP disclosed
US-20090062345-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-03-05 US disclosed
WO-2009023539-A2 TETRAHYDROPYRIDINE CARBOXAMIDE DERIVATIVES AS TRPVL ANTAGONISTS ABBOTT LABORATORIES (US) 2009-02-19 WO 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 1/4885HSD11B1 3218/4885TRPA1 3/4885
US-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPA1 TRPV1 1/4885HSD11B1 3218/4885TRPA1 3/4885

“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.