SCHEMBL3581245

SCHEMBL3581245

C[C@@H]1CN(C(c2cccc(O)c2)c2cccc(C(=O)N(C)CC(=O)O)c2)[C@H](C)CN1CC1CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.55

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
SCHEMBL3581244 1.00 OPRD1 (0.55) OPRD1
SCHEMBL13441434 0.89 OPRD1 (0.51) OPRD1
SCHEMBL3573822 0.89 OPRD1 (0.51) OPRD1
SCHEMBL3573825 0.89 OPRD1 (0.51) OPRD1
SCHEMBL3582520 0.88
SCHEMBL4596671 0.88
SCHEMBL13441419 0.87 OPRD1 (0.71) OPRD1
SCHEMBL3580032 0.87 OPRD1 (0.71) OPRD1
SCHEMBL3580035 0.87 OPRD1 (0.71) OPRD1
SCHEMBL8930501 0.86 CYP1A2 (0.67) OPRD1

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-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 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-20070043028-A1 Compositions of novel opioid compounds and method of use thereof OPRL1, OPRD1, OPRK1 OPRD1 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.