SCHEMBL6310090

SCHEMBL6310090

CCN(CC)C(=O)c1ccc(/C(=C2\C[C@H]3CC[C@@H](C2)N3)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 1.00
OPRM1 P35372 17/20 1.00
OPRK1 P41145 4/20 0.63

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
SCHEMBL6311204 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL6310094 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6310068 0.99 OPRD1 (0.97) OPRD1OPRM1OPRK1
Fumaric Acid SCHEMBL6309226 0.94 OPRD1 (0.89) OPRD1OPRM1OPRK1
Fumaric Acid SCHEMBL6309238 0.94 OPRD1 (0.89) OPRD1OPRM1OPRK1
Fumaric Acid SCHEMBL7490201 0.94 OPRD1 (0.89) OPRD1OPRM1OPRK1
Fumaric Acid SCHEMBL6309233 0.94 OPRD1 (0.89) OPRD1OPRM1OPRK1
SCHEMBL5681661 0.88 OPRM1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL6717020 0.85 OPRM1 (0.74) OPRD1OPRM1
SCHEMBL6316561 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1

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-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
US-20020115662-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives BOYD ROBERT E (US) 2002-08-22 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 (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 OPRD1 1/4885OPRM1 2/4885OPRK1 3/4885
US-20020115662-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRM1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 2/4885
US-20030181447-A1 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRM1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 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.