SCHEMBL4334974

SCHEMBL4334974

COc1c(C(c2ccccc2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)n(C)[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.67
OPRK1 P41145 18/20 0.67
OPRL1 P41146 18/20 0.67
OPRD1 P41143 17/20 0.67

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
SCHEMBL4331141 0.90 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4331167 0.87 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4332907 0.87 OPRM1 (0.69) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4322704 0.87 OPRM1 (0.69) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4322415 0.87 OPRM1 (0.69) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4326994 0.85 OPRM1 (0.67) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4325566 0.82 OPRM1 (0.73) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5244772 0.81 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4331756 0.81 OPRM1 (0.72) OPRM1OPRK1OPRL1OPRD1
SCHEMBL4332761 0.81 OPRM1 (0.60) OPRM1OPRK1OPRL1OPRD1

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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A OPRM1 264/4885OPRK1 169/4885OPRL1 96/4885

“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.