SCHEMBL766613

SCHEMBL766613

O=C(Cl)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CCl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.56
KIF11 P52732 8/20 0.41
P2RX7 Q99572 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL1686447 0.83 TRPV1 (0.61) TRPV1KIF11P2RX7CYP11B1CYP11B2
SCHEMBL766631 0.81 TRPV1 (0.53) TRPV1
SCHEMBL766679 0.80 TRPV1 (0.69) TRPV1KIF11P2RX7
SCHEMBL766424 0.79 TRPV1 (0.79) TRPV1
SCHEMBL766582 0.79 TRPV1 (0.79) TRPV1
SCHEMBL1686401 0.77 TRPV1 (0.59) TRPV1KIF11
SCHEMBL1686549 0.74 TRPV1 (0.59) TRPV1KIF11P2RX7CYP11B1CYP11B2
SCHEMBL766700 0.73 TRPV1 (0.54) TRPV1KIF11P2RX7CYP11B1CYP11B2
SCHEMBL13257566 0.73 TRPV1 (0.54) TRPV1KIF11P2RX7CYP11B1CYP11B2
SCHEMBL766496 0.72 TRPV1 (0.55) TRPV1KIF11P2RX7CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US disclosed
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US disclosed
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US disclosed
EP-2393789-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010091009-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO disclosed
WO-2010091009-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 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 (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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 TRPV1 1/4885KIF11 3415/4885P2RX7 17/4885

“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.