SCHEMBL684700

SCHEMBL684700

O=C1CC[C@H]2[C@@H]3CCC[C@@]24c2c(ccc(CO)c2O[C@@H]14)C3

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.48
OPRD1 P41143 5/20 0.48
OPRK1 P41145 3/20 0.48
LMNA P02545 1/20 0.45
PDE4D Q08499 1/20 0.45
MRGPRX2 Q96LB1 1/20 0.45
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL16866228 0.97 OPRM1 (0.48) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL21226454 0.86 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12964014 0.86 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18878473 0.86 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12836600 0.86 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18994809 0.83 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL8741093 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL19919122 0.81 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18994760 0.81 OPRD1 (0.46) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12831723 0.81 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362029-B2 Opioid-containing oral pharmaceutical compositions and methods UPSHER-SMITH LABORATORIES, INC. (US) 2013-01-29 US disclosed
US-20110275658-A1 OPIOID-CONTAINING ORAL PHARMACEUTICAL COMPOSITIONS AND METHODS UPSHER-SMITH LABORATORIES, INC. (US) 2011-11-10 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-20110275658-A1 OPIOID-CONTAINING ORAL PHARMACEUTICAL COMPOSITIONS AND METHODS OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 4/4885OPRK1 1/4885

“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.