SCHEMBL4324565

SCHEMBL4324565

CCn1c(CN2CCC(C#N)(c3ccccc3)CC2)c(Cl)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.51
OPRL1 P41146 3/20 0.49
OPRD1 P41143 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CCR1 P32246 2/20 0.42
GRM2 Q14416 1/20 0.41
CHRM4 P08173 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL4324952 0.88 OPRM1 (0.53) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL13913700 0.87 OPRM1 (0.52) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL8260241 0.85 DRD4 (0.42) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL4327050 0.81 OPRM1 (0.51) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL4328772 0.80 OPRL1 (0.51) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL4322831 0.79 OPRM1 (0.49) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL4319557 0.77 HSD11B1 (0.42) OPRM1OPRL1OPRD1DRD2GRM2
SCHEMBL8258243 0.77 OPRL1 (0.62) OPRM1OPRL1OPRD1DRD2DRD4
SCHEMBL4331209 0.75 OPRL1 (0.39) OPRM1OPRL1OPRD1DRD3
SCHEMBL4319330 0.74 HSD11B1 (0.40) OPRM1OPRL1OPRD1DRD4

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 6 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
CN-101128435-A Pyrazolone compounds as metabotropic glutamate receptor agonists for the treatment of neurological and psychiatric disorders ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP 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 OPRM1 264/4885OPRL1 96/4885OPRD1 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.