SCHEMBL20229840

SCHEMBL20229840

NC(=O)CC1C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.71
OPRL1 P41146 16/20 0.71
OPRK1 P41145 15/20 0.71
OPRD1 P41143 2/20 0.46
OGFRL1 Q5TC84 1/20 0.46
PARP1 P09874 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44

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
SCHEMBL20229794 0.90 OPRM1 (0.73) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL20230048 0.87 OPRM1 (0.60) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL20230120 0.87 OPRM1 (0.69) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL20213174 0.87 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL20229838 0.86 OPRM1 (0.76) OPRM1OPRL1OPRK1OPRD1
SCHEMBL20212790 0.86 OPRM1 (0.76) OPRM1OPRL1OPRK1OPRD1
SCHEMBL20212793 0.86 OPRM1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL20230157 0.86 OPRM1 (0.78) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL23034899 0.86 OPRM1 (0.53) OPRM1OPRL1OPRK1
SCHEMBL20230118 0.86 OPRM1 (0.74) OPRM1OPRL1OPRK1OPRD1OGFRL1

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-20180155314-A1 PIPERDINYL NOCICEPTIN RECEPTOR COMPOUNDS ASTRAEA THERAPEUTICS, LLC 2018-06-07 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-20180155314-A1 PIPERDINYL NOCICEPTIN RECEPTOR COMPOUNDS OPRL1, OPRK1, OPRD1 OPRM1 4/4885OPRL1 1/4885OPRK1 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.