SCHEMBL14263104

SCHEMBL14263104

CCC[C@]12c3c4ccc(O)c3O[C@H]1C(=O)C(O)(O)C[C@@]2(O)[C@H](NCC1CC1)C4

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
OPRD1 P41143 8/20 0.39
OPRK1 P41145 4/20 0.39
CYP2D6 P10635 3/20 0.39
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 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
SCHEMBL16624837 0.85 OPRM1 (0.51) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL14263076 0.81 OPRD1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL13507183 0.78 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL12449823 0.76 OPRD1 (0.56) OPRM1OPRD1OPRK1CYP2D6CYP1A2
SCHEMBL20170852 0.75 OPRM1 (0.53) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL18104558 0.74 OPRM1 (0.44) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL13507285 0.72 OPRM1 (0.50) OPRM1OPRD1OPRK1CYP1A2PKM
SCHEMBL7987517 0.70 OPRM1 (0.52) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16311903 0.70 OPRM1 (0.45) OPRM1OPRD1OPRK1CYP2D6CHRNA7
SCHEMBL16311868 0.70 OPRM1 (0.43) OPRM1OPRD1OPRK1CYP2D6CHRNA7

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-20080064743-A1 Dry powder compound formulations and uses thereof WYETH (US) 2008-03-13 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-20080064743-A1 Dry powder compound formulations and uses thereof OPRM1, OPRK1, OPRL1 OPRM1 1/4885OPRD1 4/4885OPRK1 2/4885

“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.