SCHEMBL46228

SCHEMBL46228

CN1CC[C@]23c4c5ccc(C#N)c4OC2C(=O)C=CC3(O)[C@H]1C5

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.48
OPRD1 P41143 11/20 0.48
OPRK1 P41145 10/20 0.48

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
SCHEMBL20306832 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL20306831 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL16437865 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL10045436 0.86 OPRD1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL14883433 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL138329 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL16926031 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL10301493 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL20683157 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL8285384 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1

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-20140303371-A1 Process for the Synthesis of Substituted Morphinans ALKERMES PHARMA IRELAND LIMITED (IE) 2014-10-09 US disclosed
US-20120010412-A1 Process for the Synthesis of Substituted Morphinans ALKERMES, INC. (US) 2012-01-12 US disclosed
WO-2012005795-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS ALKERMES, INC. (US) 2012-01-12 WO 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-20140303371-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, DHPS, CYP4B1 OPRM1 251/4885OPRD1 1176/4885OPRK1 655/4885
US-20120010412-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, DHPS, CYP4B1 OPRM1 251/4885OPRD1 1176/4885OPRK1 655/4885

“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.