SCHEMBL2689131

SCHEMBL2689131

FC1(c2nccs2)CCC2(CC1)OCCO2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.31
SCN5A Q14524 2/20 0.31

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
SCHEMBL743084 0.80 OPRL1 (0.46) OPRL1
SCHEMBL2037274 0.78 OPRL1 (0.30) OPRL1
SCHEMBL2689713 0.72 ALDH1A1 (0.33) OPRL1
SCHEMBL19508120 0.69 ALOX15 (0.36) OPRL1
SCHEMBL628684 0.67 SCN5A (0.35) SCN5A
SCHEMBL28232732 0.66
SCHEMBL2688222 0.65 ALDH1A1 (0.34) OPRL1
SCHEMBL2690052 0.65 TRPV1 (0.36)
SCHEMBL2689390 0.64 TRPV1 (0.42) OPRL1
SCHEMBL6245643 0.64 ALOX15 (0.59)

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-8338603-B2 TRPV1 antagonists ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120108642-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2012-05-03 US disclosed
US-8084616-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
EP-2215061-A2 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2010-08-11 EP disclosed
US-20090124671-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055629-A2 CYCLOHEXENEAMIDE DERIVATIVES AND THEIR USE AS TRPV1 ANTAGONIST ABBOTT LABORATORIES (US) 2009-04-30 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-20120108642-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 OPRL1 7/4885SCN5A 280/4885
US-20090124671-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 OPRL1 7/4885SCN5A 280/4885

“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.