SCHEMBL12195928

SCHEMBL12195928

CN1CC[C@]23c4c5ccc(P=O)c4OC2C(OC(=O)CCC(=O)O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.59
▸ OPRM1 P35372 15/20 0.59
▸ OPRK1 P41145 14/20 0.59

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
SCHEMBL12195935 0.93 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL30301310 0.90 OPRM1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL16807428 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL16807432 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL27855934 0.85 OPRM1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL12195913 0.85 OPRM1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL15449784 0.84 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL22959885 0.83 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL29894293 0.83 OPRD1 (0.77) OPRD1OPRM1OPRK1
Diacetylmorphine SCHEMBL30301301 0.82 OPRD1 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150165052-A1 Hybrid Opioid Compounds and Compositions QRXPHARMA LTD (AU) 2015-06-18 — — US disclosed
US-8461171-B2 Hybrid opioid compounds and compositions QRxPharma Ltd. (AU) 2013-06-11 — — US disclosed
US-20110245287-A1 Hybrid Opioid Compounds and Compositions HOLADAY JOHN W 2011-10-06 — — 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 (2 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-20150165052-A1 Hybrid Opioid Compounds and Compositions OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 1/4885OPRK1 2/4885
US-20110245287-A1 Hybrid Opioid Compounds and Compositions OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 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.

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