SCHEMBL4319909

SCHEMBL4319909

CC(C)(C)OC(=O)N1CCC(CC=Cc2cccnc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.56
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
KDM1A O60341 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
NAMPT P43490 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL4319905 1.00 GPR119 (0.56) GPR119KDM4EPKMKDM1AKEAP1
SCHEMBL390097 0.87 GPR119 (0.49) GPR119KDM4EPKMKEAP1NFE2L2
SCHEMBL390096 0.87 GPR119 (0.49) GPR119KDM4EPKMKEAP1NFE2L2
SCHEMBL390265 0.87 GPR119 (0.49) GPR119KDM4EPKMKEAP1NFE2L2
SCHEMBL13913652 0.87 KDM4E (0.58) GPR119KDM4EPKM
SCHEMBL13913657 0.87 KDM4E (0.58) GPR119KDM4EPKM
SCHEMBL4327219 0.81 GPR119 (0.56) GPR119KDM4EPKMFAAH
SCHEMBL4327221 0.81 GPR119 (0.56) GPR119KDM4EPKMFAAH
SCHEMBL13913654 0.80 MEN1 (0.48) GPR119KDM4EPKM
SCHEMBL30292612 0.80 NAMPT (0.72) GPR119KEAP1NFE2L2NAMPTCYP3A4

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 3 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
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 GPR119 63/4885KDM4E 3662/4885PKM 969/4885

“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.