SCHEMBL3274743

SCHEMBL3274743

NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCCl)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.71
OPRD1 P41143 20/20 0.71

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
SCHEMBL3274744 1.00 OPRM1 (0.71) OPRM1OPRD1
SCHEMBL3273677 0.89 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL20942745 0.89 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL1764844 0.89 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL1764847 0.89 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL3273675 0.89 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL1764391 0.86 OPRM1 (0.77) OPRM1OPRD1
SCHEMBL1845078 0.86 OPRM1 (0.77) OPRM1OPRD1
SCHEMBL1764392 0.86 OPRM1 (0.77) OPRM1OPRD1
SCHEMBL1845075 0.86 OPRM1 (0.77) OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211894-B2 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-07-03 US disclosed
US-20100152199-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-06-17 US disclosed
US-7691878-B2 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2010-04-06 US disclosed
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 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-20100152199-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885

“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.