SCHEMBL4328772

SCHEMBL4328772

CCn1c(CN2CCC(O)(c3ccccc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.51
POLB P06746 1/20 0.50
CCR3 P51677 1/20 0.47
DRD4 P21917 3/20 0.44
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
OPRM1 P35372 2/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4319557 0.84 HSD11B1 (0.42) OPRL1DRD2OPRM1HSD11B1OPRD1
SCHEMBL8260241 0.82 DRD4 (0.42) OPRL1CCR3DRD4DRD2DRD3
SCHEMBL4319330 0.82 HSD11B1 (0.40) OPRL1DRD4OPRM1HSD11B1KDM4E
SCHEMBL4324565 0.80 OPRM1 (0.51) OPRL1DRD4DRD2DRD3OPRM1
SCHEMBL8260330 0.79 OPRM1 (0.39) OPRL1DRD4DRD2DRD3OPRM1
SCHEMBL4336104 0.79 TACR2 (0.42) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4319712 0.79 OPRL1 (0.66) OPRL1DRD4DRD2DRD3OPRM1
SCHEMBL4325925 0.78 MEN1 (0.48) DRD4DRD2DRD3HSD11B1KDM4E
SCHEMBL4328990 0.78 HTR1A (0.47) DRD4DRD2KDM4EALDH1A1
SCHEMBL4322947 0.78 DRD3 (0.42) DRD3OPRM1OPRD1OPRK1

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
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
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 96/4885POLB 4059/4885CCR3 3456/4885

“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.