SCHEMBL2318690

SCHEMBL2318690

CCC1(CC)C[C@@H](NC(=O)Nc2cccc3ccncc23)c2cccc(F)c2O1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.73
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 1/20 0.64

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
SCHEMBL2319225 0.93 TRPV1 (0.76) TRPV1CYP3A4CYP2D6
SCHEMBL3322928 0.86 TRPV1 (0.79) TRPV1CYP3A4CYP2D6
SCHEMBL2320698 0.85 TRPV1 (1.00) TRPV1CYP3A4CYP2D6
SCHEMBL2320206 0.84 TRPV1 (0.83) TRPV1CYP3A4CYP2D6
SCHEMBL2357851 0.82 TRPV1 (0.73) TRPV1CYP2D6
SCHEMBL2320393 0.81 TRPV1 (0.77) TRPV1CYP3A4CYP2D6
SCHEMBL2315125 0.79 TRPV1 (0.90) TRPV1CYP3A4CYP2D6
SCHEMBL15063928 0.79 TRPV1 (1.00) TRPV1
SCHEMBL2323872 0.78 TRPV1 (1.00) TRPV1CYP3A4CYP2D6
SCHEMBL2324179 0.78 TRPV1 (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US claimed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP claimed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US claimed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO 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
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP 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
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO 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 1/4885CYP3A4 1282/4885CYP2D6 878/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885CYP3A4 1264/4885CYP2D6 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.