SCHEMBL15732207

SCHEMBL15732207

CCC[C@]12c3c4cc(O)c(O)c3O[C@H]1C(=O)CC[C@@]2(O)[C@H](C)C4

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.39
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
CYP2D6 P10635 5/20 0.38
CHRNA7 P36544 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
CYBB P04839 2/20 0.38
NFKB1 P19838 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15732211 0.88 OPRM1 (0.39) OPRK1OPRM1OPRD1CYP2D6LMNA
SCHEMBL15214352 0.86 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL16747749 0.86 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL14996104 0.86 OPRK1 (0.53) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL15732181 0.82
SCHEMBL15732231 0.82 OPRK1 (0.40) OPRK1OPRM1OPRD1CYP2D6CHRNA7
SCHEMBL15732206 0.80 OPRM1 (0.56) OPRK1OPRM1OPRD1CYP2D6LMNA
SCHEMBL16743664 0.80 OPRM1 (0.56) OPRK1OPRM1OPRD1CYP2D6LMNA
SCHEMBL16705041 0.79 OPRM1 (0.54) OPRK1OPRM1OPRD1
SCHEMBL15337209 0.79 OPRM1 (0.54) OPRK1OPRM1OPRD1

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-8853232-B2 Peripheral opioid receptor antagonists and uses thereof WYETH LLC (US) 2014-10-07 US disclosed
US-20140142132-A1 PERIPHERAL OPIOID RECEPTOR ANTAGONISTS AND USES THEREOF WYETH, LLC (US) 2014-05-22 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-20140142132-A1 PERIPHERAL OPIOID RECEPTOR ANTAGONISTS AND USES THEREOF OPRM1, OPRL1, OPRK1 OPRK1 3/4885OPRM1 1/4885OPRD1 4/4885

“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.