SCHEMBL10072676

SCHEMBL10072676

CN1CC[C@]23c4c5ccc(OS(=O)(=O)C(F)(F)F)c4OC2C2(CCC3(O)[C@H]1C5)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
OPRM1 P35372 7/20 0.50
OPRD1 P41143 4/20 0.50
OPRK1 P41145 3/20 0.50

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
SCHEMBL20306868 1.00 HCRTR1 (0.55) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL10045468 0.91 HCRTR1 (0.57) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20306858 0.87 HCRTR1 (0.52) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20306856 0.87 HCRTR1 (0.52) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL10072235 0.87 HCRTR1 (0.52) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL10072236 0.87 HCRTR1 (0.53) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20306867 0.87 HCRTR1 (0.53) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL10072239 0.86 OPRM1 (0.56) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20306866 0.86 OPRM1 (0.56) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL20306862 0.86 OPRM1 (0.56) HCRTR1OPRM1OPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005790-B2 Process for the synthesis of substituted morphinans ALKERMES PHARMA IRELAND LIMITED (IE) 2018-06-26 US disclosed
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 (3 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 HCRTR1 3605/4885OPRM1 251/4885OPRD1 1176/4885
US-20120010412-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, DHPS, CYP4B1 HCRTR1 3605/4885OPRM1 251/4885OPRD1 1176/4885
US-10005790-B2 Process for the synthesis of substituted morphinans CYP1B1, CYP2F1, CYP1A2 HCRTR1 1435/4885OPRM1 72/4885OPRD1 230/4885

“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.