SCHEMBL768544

SCHEMBL768544

Cc1ccc(-c2onc(C(=O)NC3CCCC3)c2CN(C(C)C)S(C)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.55
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
S1PR1 P21453 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL766682 0.89 TRPV1 (0.71) TRPV1KCNH2
SCHEMBL766902 0.81 TRPV1 (0.69) TRPV1KCNH2
SCHEMBL766493 0.77 TRPV1 (0.84) TRPV1KCNH2
SCHEMBL766386 0.76 TRPV1 (0.78) TRPV1
SCHEMBL766863 0.75 TRPV1 (0.84) TRPV1KCNH2
SCHEMBL766697 0.75 TRPV1 (0.73) TRPV1KCNH2
SCHEMBL11931673 0.75 TRPV1 (0.77) TRPV1NPC1RAB9AMEN1S1PR1
SCHEMBL11931676 0.75 TRPV1 (0.82) TRPV1NPC1RAB9AMEN1S1PR1
SCHEMBL766757 0.75 TRPV1 (0.71) TRPV1KCNH2
SCHEMBL766283 0.75 TRPV1 (0.72) 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 1/4885NPC1 1369/4885RAB9A 2050/4885

“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.