SCHEMBL766713

SCHEMBL766713

CCC(CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 1.00
HDAC4 P56524 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KCNH2 Q12809 1/20 0.47

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
SCHEMBL766712 1.00 TRPV1 (1.00) TRPV1HDAC4HDAC6KCNH2
SCHEMBL1686894 0.87 TRPV1 (0.77) TRPV1HDAC4HDAC6
SCHEMBL1686892 0.87 TRPV1 (0.77) TRPV1HDAC4HDAC6
SCHEMBL766636 0.85 TRPV1 (1.00) TRPV1HDAC4HDAC6
SCHEMBL766635 0.85 TRPV1 (1.00) TRPV1HDAC4HDAC6
SCHEMBL766658 0.85 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766657 0.85 TRPV1 (1.00) TRPV1KCNH2
SCHEMBL766536 0.78 TRPV1 (0.65) TRPV1
SCHEMBL766721 0.77 TRPV1 (0.80) TRPV1KCNH2
SCHEMBL766722 0.77 TRPV1 (0.80) TRPV1KCNH2

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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 TRPV1 1/4885HDAC4 966/4885HDAC6 271/4885

“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.