SCHEMBL13800801

SCHEMBL13800801

CN1CC[C@]23c4c5ccc(OC(=O)CCCCO[N+](=O)[O-])c4OC2C(OC(=O)CCCCO[N+](=O)[O-])C=CC3C1C5

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.61
▸ OPRM1 P35372 14/20 0.57
▸ OPRK1 P41145 12/20 0.57

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
SCHEMBL13800802 0.91 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL15449784 0.87 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL19463540 0.86 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL15449783 0.86 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL22959877 0.86 OPRM1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL15449782 0.85 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL8210710 0.84 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL16635673 0.83 OPRD1 (0.82) OPRD1OPRM1OPRK1
SCHEMBL8207264 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL8207268 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143417-A1 METHODS OF TREATING PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2009-06-04 — — 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-20090143417-A1 METHODS OF TREATING PAIN OPRL1, NOS2, NOS3 OPRD1 7/4885OPRM1 6/4885OPRK1 4/4885

“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.

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