SCHEMBL4319557

SCHEMBL4319557

CCn1c(CN2CCC(C)(c3ccccc3)C2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.37
OPRM1 P35372 7/20 0.35
OPRD1 P41143 7/20 0.35
OPRK1 P41145 7/20 0.35
OPRL1 P41146 5/20 0.35
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
EPHX2 P34913 2/20 0.33
EPHX1 P07099 1/20 0.33
GRM2 Q14416 1/20 0.33
CXCR3 P49682 1/20 0.33

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
SCHEMBL4321229 0.87 GAA (0.39) HSD11B1GAAOPRM1OPRD1OPRK1
SCHEMBL4328772 0.84 OPRL1 (0.51) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL8260241 0.79 DRD4 (0.42) HSD11B1CYP3A4GAAOPRM1OPRD1
SCHEMBL8258438 0.79 SIGMAR1 (0.47) CYP3A4DRD2SIGMAR1
SCHEMBL4319330 0.78 HSD11B1 (0.40) HSD11B1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL4324565 0.77 OPRM1 (0.51) OPRM1OPRD1OPRL1DRD2GRM2
SCHEMBL8260330 0.76 OPRM1 (0.39) HSD11B1CYP3A4OPRM1OPRD1OPRK1
SCHEMBL4319712 0.76 OPRL1 (0.66) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL4328990 0.75 HTR1A (0.47) DRD2
SCHEMBL4325925 0.75 MEN1 (0.48) HSD11B1DRD2GRM2

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 HSD11B1 2257/4885CYP3A4 1909/4885GAA 2942/4885

“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.