SCHEMBL3323725

SCHEMBL3323725

Cn1ncc2c(N(C(N)=O)[C@@H]3CC(CF)(CF)Oc4cc(OC(F)(F)F)ccc43)cccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.44
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CFD P00746 1/20 0.33

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
SCHEMBL2359621 0.79 TRPV1 (0.67) TRPV1CYP2D6CYP3A4
SCHEMBL3319458 0.75 TRPV1 (0.38) TRPV1
SCHEMBL3323157 0.72 TRPV1 (0.46) TRPV1CYP2D6
SCHEMBL27762597 0.71 TRPV1 (0.46) TRPV1CYP2D6CYP3A4
SCHEMBL27742035 0.70 TRPV1 (0.47) TRPV1CYP2D6CYP3A4
SCHEMBL3322186 0.70 TRPV1 (0.41) TRPV1CYP2D6CYP3A4
SCHEMBL5551739 0.69 TRPV1 (0.42) TRPV1
SCHEMBL3320954 0.69 TRPV1 (0.47) TRPV1CYP2D6CYP3A4
SCHEMBL3322541 0.69 TRPV1 (0.51) TRPV1CYP2D6CYP3A4
SCHEMBL3327841 0.69 TRPV1 (0.62) TRPV1CYP2D6CYP3A4

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-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 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-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885CYP2D6 875/4885CYP3A4 1264/4885

“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.