SCHEMBL15732178

SCHEMBL15732178

CCC[C@]12c3c4ccc(O)c3O[C@H]1C(=O)C(O)C(O)[C@@]2(O)[C@H](C)C4

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 4/20 0.38

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
SCHEMBL15732176 0.86 OPRM1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL15732210 0.83 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL16747749 0.77 OPRK1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL14996104 0.77 OPRK1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL19322785 0.77 OPRM1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL15214352 0.77 OPRK1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL17233018 0.75 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL15732229 0.72 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL15732201 0.72 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL15732232 0.72 OPRM1 (0.52) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853232-B2 Peripheral opioid receptor antagonists and uses thereof WYETH LLC (US) 2014-10-07 US disclosed
US-20140142132-A1 PERIPHERAL OPIOID RECEPTOR ANTAGONISTS AND USES THEREOF WYETH, LLC (US) 2014-05-22 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 (1 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-20140142132-A1 PERIPHERAL OPIOID RECEPTOR ANTAGONISTS AND USES THEREOF OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRD1 4/4885OPRK1 3/4885

“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.