SCHEMBL4348649

SCHEMBL4348649

COC(=O)n1ncc2c(NC(=O)NC3CC4(CCCCC4)Oc4ccc(Cl)cc43)cccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.54
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
NTRK1 P04629 1/20 0.41

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
SCHEMBL4350451 0.91 TRPV1 (0.55) TRPV1CYP3A4CYP2D6NTRK1
SCHEMBL4359756 0.90 TRPV1 (0.65) TRPV1NTRK1
SCHEMBL4354864 0.89 TRPV1 (0.53) TRPV1CYP3A4CYP2D6NTRK1
SCHEMBL4348401 0.89 TRPV1 (0.48) TRPV1CYP3A4CYP2D6
SCHEMBL4350356 0.88 TRPV1 (0.54) TRPV1CYP3A4CYP2D6NTRK1
SCHEMBL4343205 0.88 TRPV1 (0.51) TRPV1CYP3A4CYP2D6NTRK1
SCHEMBL4350187 0.88 TRPV1 (0.64) TRPV1CYP3A4CYP2D6
SCHEMBL4786870 0.87 TRPV1 (0.52) TRPV1CYP3A4CYP2D6
SCHEMBL4350468 0.85 TRPV1 (0.65) TRPV1CYP3A4CYP2D6
SCHEMBL4345003 0.84 TRPV1 (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598220-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-12-03 US disclosed
US-7622493-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
US-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
EP-2012778-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2009-01-14 EP disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 US disclosed
WO-2007121299-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-25 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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 TRPV1 3/4885CYP3A4 1720/4885CYP2D6 1395/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B TRPV1 4/4885CYP3A4 1882/4885CYP2D6 1472/4885

“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.