SCHEMBL17625328

SCHEMBL17625328

COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H](C(N(C)COC(C)=O)C2)[C@@]31C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.73
OPRK1 P41145 10/20 0.47
OPRD1 P41143 5/20 0.47
LMNA P02545 2/20 0.47
PDE4D Q08499 1/20 0.47
MRGPRX2 Q96LB1 1/20 0.47
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL17625329 0.91 OPRM1 (0.70) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL13100920 0.87 OPRM1 (0.81) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL13534483 0.87 OPRM1 (0.81) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL14852885 0.87 OPRM1 (0.81) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL16188984 0.86 OPRM1 (0.54) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12948089 0.85 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL16189013 0.78 OPRM1 (0.53) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL20170773 0.78 OPRM1 (0.66) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL16188985 0.78 OPRM1 (0.52) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL18878785 0.77 OPRM1 (0.65) OPRM1OPRK1OPRD1LMNAPDE4D

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-20160083393-A1 COMPOUNDS FOR TREATMENT OF PAIN BIOPHARMA WORKS 2016-03-24 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-20160083393-A1 COMPOUNDS FOR TREATMENT OF PAIN OPRK1, OPRL1, OPRD1 OPRM1 4/4885OPRK1 1/4885OPRD1 3/4885

“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.