SCHEMBL6318338

SCHEMBL6318338

CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.83
OPRD1 P41143 19/20 0.83

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
SCHEMBL6312260 0.96 OPRM1 (0.77) OPRM1OPRD1
SCHEMBL6309378 0.91 OPRM1 (1.00) OPRM1OPRD1
Hydrochloric Acid SCHEMBL6316222 0.90 OPRM1 (0.98) OPRM1OPRD1
SCHEMBL6316112 0.89 OPRM1 (0.88) OPRM1OPRD1
SCHEMBL6310463 0.88 OPRM1 (0.74) OPRM1OPRD1
SCHEMBL6398323 0.86 OPRM1 (0.80) OPRM1OPRD1
SCHEMBL6311259 0.86 OPRM1 (0.71) OPRM1OPRD1
SCHEMBL6309659 0.86 OPRM1 (0.70) OPRM1OPRD1
SCHEMBL6308778 0.85 OPRM1 (0.80) OPRM1OPRD1
SCHEMBL6308694 0.85 OPRM1 (0.94) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 US disclosed
US-20030181447-A1 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives BOYD ROBERT E (US) 2003-09-25 US disclosed
US-6552036-B2 Delta-opioid or mu-opioid receptor modulators; useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of respiratory diseases. ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-22 US disclosed
EP-1263758-A2 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-12-11 EP disclosed
US-20020115662-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives BOYD ROBERT E (US) 2002-08-22 US disclosed
WO-2001066543-A2 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-09-13 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 (3 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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885
US-20020115662-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885
US-20030181447-A1 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 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.