SCHEMBL3327299

SCHEMBL3327299

O[C@H]1CC(CF)(CF)Oc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.48
TRPV1 Q8NER1 19/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 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
SCHEMBL3327305 1.00 MAP3K14 (0.48) MAP3K14TRPV1CYP3A4CYP2D6
SCHEMBL15021517 0.84 MAP3K14 (0.47) MAP3K14TRPV1CYP3A4CYP2D6
SCHEMBL15022431 0.84 MAP3K14 (0.47) MAP3K14TRPV1CYP3A4CYP2D6
SCHEMBL2364748 0.84 CFTR (0.47) TRPV1CYP3A4CYP2D6
SCHEMBL3321541 0.84 CFTR (0.47) TRPV1CYP3A4CYP2D6
SCHEMBL3322858 0.82 CFTR (0.35) TRPV1CYP3A4CYP2D6
SCHEMBL3321103 0.82 TRPV1 (0.44) TRPV1CYP3A4CYP2D6
SCHEMBL15075118 0.82 TRPV1 (0.44) TRPV1CYP3A4CYP2D6
SCHEMBL3322864 0.82 CFTR (0.35) TRPV1CYP3A4CYP2D6
SCHEMBL3321108 0.82 TRPV1 (0.44) TRPV1CYP3A4CYP2D6

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 4 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-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 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 (2 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 MAP3K14 3151/4885TRPV1 1/4885CYP3A4 1282/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 MAP3K14 3079/4885TRPV1 1/4885CYP3A4 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.