SCHEMBL4332982

SCHEMBL4332982

Cn1c(CN2CCC3(CC2)C(=O)CCN3c2ccccc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.41
OPRM1 P35372 14/20 0.41
OPRD1 P41143 14/20 0.41
OPRK1 P41145 14/20 0.41
MAPT P10636 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 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
SCHEMBL4339359 0.87 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL13914015 0.85 DRD2 (0.55) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL4322410 0.84 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1MAPT
SCHEMBL4318199 0.82 OPRM1 (0.53) OPRL1OPRM1OPRD1OPRK1MAPT
SCHEMBL4324265 0.80 OPRL1 (0.50) OPRL1OPRM1MAPTDRD2DRD4
SCHEMBL4329472 0.80 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4332755 0.80 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1MAPT
SCHEMBL4331687 0.79 EGLN1 (0.48) MAPT
SCHEMBL8259826 0.79 MAPT (0.44) MAPT
SCHEMBL4324271 0.79 ALDH1A1 (0.48) MAPTDRD2DRD4

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 4 patents. 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
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
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
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO 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 OPRL1 96/4885OPRM1 264/4885OPRD1 178/4885

“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.