SCHEMBL2117764

SCHEMBL2117764

O=C(N[C@@H]1CCC[C@H](O)C1)c1onc(-c2ccc(Cl)c(F)c2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 1.00

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
SCHEMBL2120016 0.88 TRPV1 (1.00) TRPV1
SCHEMBL1686297 0.85 TRPV1 (1.00) TRPV1
SCHEMBL2118737 0.83 TRPV1 (0.71) TRPV1
SCHEMBL2118735 0.83 TRPV1 (0.71) TRPV1
SCHEMBL2118730 0.83 TRPV1 (0.71) TRPV1
SCHEMBL2118433 0.83 TRPV1 (1.00) TRPV1
SCHEMBL10068661 0.83 TRPV1 (0.71) TRPV1
SCHEMBL1686281 0.79 TRPV1 (0.89) TRPV1
SCHEMBL1686292 0.78 TRPV1 (1.00) TRPV1
SCHEMBL2118642 0.75 TRPV1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US claimed
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 TRPV1 1/4885

“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.