SCHEMBL6717020

SCHEMBL6717020

CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2cccc(OC)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.74
OPRD1 P41143 16/20 0.74
ABCB11 O95342 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL5681661 0.86 OPRM1 (0.79) OPRM1OPRD1ABCB11KCNH2
SCHEMBL6311204 0.85 OPRD1 (1.00) OPRM1OPRD1
SCHEMBL6310090 0.85 OPRD1 (1.00) OPRM1OPRD1
SCHEMBL6310094 0.85 OPRD1 (1.00) OPRM1OPRD1
Hydrochloric Acid SCHEMBL6310068 0.84 OPRD1 (0.97) OPRM1OPRD1
SCHEMBL4927224 0.82 OPRD1 (1.00) OPRM1OPRD1ABCB11KCNH2
SCHEMBL5678200 0.81 OPRM1 (0.79) OPRM1OPRD1
SCHEMBL5677362 0.81 OPRM1 (0.78) OPRM1OPRD1
Fumaric Acid SCHEMBL6309238 0.81 OPRD1 (0.89) OPRM1OPRD1
Fumaric Acid SCHEMBL6309233 0.81 OPRD1 (0.89) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254190-A1 3-Benzhydrylidene-8-aza-bicyclo[3.2.1]octane derivatives with opioid receptor activity PFIZER INC 2004-12-16 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-20040254190-A1 3-Benzhydrylidene-8-aza-bicyclo[3.2.1]octane derivatives with opioid receptor activity OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885ABCB11 1072/4885

“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.