SCHEMBL46197

SCHEMBL46197

COc1ccc2c3c1OC1C(=O)CCC4(O)[C@@H](C2)N(CC2CC2)CC[C@]314

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 1.00
OPRM1 P35372 10/20 1.00
OPRK1 P41145 8/20 1.00
CYP2D6 P10635 4/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
HSD17B10 Q99714 1/20 1.00
LMNA P02545 2/20 0.98
BLM P54132 1/20 0.98
CHRNA7 P36544 1/20 0.79
CYP1A2 P05177 1/20 0.79
PKM P14618 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.77
HIF1A Q16665 1/20 0.76

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
SCHEMBL14883668 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL18475510 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL29796720 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL12657346 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL13172000 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL12137748 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL9808026 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL15241475 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL15803772 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL20306870 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1

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 OPRD1 1176/4885OPRM1 251/4885OPRK1 655/4885
US-20120010412-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, DHPS, CYP4B1 OPRD1 1176/4885OPRM1 251/4885OPRK1 655/4885
US-10005790-B2 Process for the synthesis of substituted morphinans CYP1B1, CYP2F1, CYP1A2 OPRD1 230/4885OPRM1 72/4885OPRK1 252/4885

“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.