SCHEMBL3326822

SCHEMBL3326822

Cn1ncc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(OC(F)(F)F)cccc43)cccc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.58
CYP2D6 P10635 2/20 0.52

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
SCHEMBL2360102 0.94 TRPV1 (0.58) TRPV1
SCHEMBL2359621 0.86 TRPV1 (0.67) TRPV1CYP2D6
SCHEMBL2358145 0.83 TRPV1 (0.69) TRPV1
SCHEMBL2321322 0.82 TRPV1 (0.78) TRPV1CYP2D6
SCHEMBL2359747 0.82 TRPV1 (0.61) TRPV1
SCHEMBL2357851 0.81 TRPV1 (0.73) TRPV1CYP2D6
SCHEMBL2359571 0.79 TRPV1 (0.74) TRPV1CYP2D6
SCHEMBL2359781 0.78 TRPV1 (0.75) TRPV1
SCHEMBL2358787 0.78 TRPV1 (0.76) TRPV1CYP2D6
SCHEMBL2360228 0.77 TRPV1 (0.75) TRPV1CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US claimed
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 TRPV1 1/4885CYP2D6 878/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 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.