SCHEMBL3321541

SCHEMBL3321541

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
TRPV1 Q8NER1 16/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.38
SCD O00767 1/20 0.36
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34

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
SCHEMBL2364748 1.00 CFTR (0.47) CFTRTRPV1CYP2D6CYP3A4SCD
SCHEMBL3320924 0.88 TRPV1 (0.44) CFTRTRPV1CYP2D6CYP3A4KCNE1
SCHEMBL3320921 0.88 TRPV1 (0.44) CFTRTRPV1CYP2D6CYP3A4KCNE1
SCHEMBL3322858 0.84 CFTR (0.35) CFTRTRPV1CYP2D6CYP3A4
SCHEMBL3327305 0.84 MAP3K14 (0.48) TRPV1CYP2D6CYP3A4
SCHEMBL3322864 0.84 CFTR (0.35) CFTRTRPV1CYP2D6CYP3A4
SCHEMBL3327299 0.84 MAP3K14 (0.48) TRPV1CYP2D6CYP3A4
SCHEMBL3327440 0.82 CFTR (0.45) CFTRTRPV1CYP2D6CYP3A4
SCHEMBL3327444 0.82 CFTR (0.45) CFTRTRPV1CYP2D6CYP3A4
SCHEMBL3326867 0.81 TRPV1 (0.48) 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 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 CFTR 257/4885TRPV1 1/4885CYP2D6 878/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CFTR 247/4885TRPV1 1/4885CYP2D6 875/4885

“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.