SCHEMBL4340957

SCHEMBL4340957

COc1ccc(Cl)cc1C1=CCN(Cc2c(OC)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRD1 P41143 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
PARP1 P09874 1/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
IKZF1 Q13422 1/20 0.38
IKZF2 Q9UKS7 1/20 0.38
HTR6 P50406 1/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4341403 0.92 OPRM1 (0.41) KDM4EMAPTOPRM1OPRK1SIGMAR1
SCHEMBL4319927 0.83 LMNA (0.43) MAPTSIGMAR1CCNT1CDK9LMNA
SCHEMBL13913823 0.80 HCRTR1 (0.38) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL4341198 0.80 OPRM1 (0.43) KDM4EMAPTOPRM1OPRK1SIGMAR1
SCHEMBL5246497 0.80 OPRM1 (0.59) KDM4EMAPTOPRM1OPRK1HTR1A
SCHEMBL4332957 0.79 ADRA1D (0.54) KDM4EMAPTHTR1ADRD2LMNA
SCHEMBL4326916 0.75 SIGMAR1 (0.40) KDM4EMAPTOPRM1OPRK1SIGMAR1
SCHEMBL4328167 0.75 MAPT (0.39) MAPTOPRM1OPRK1OPRD1PARP1
SCHEMBL4319859 0.75 USP2 (0.58) KDM4EMAPTSIGMAR1HTR1ALMNA
SCHEMBL4334582 0.75 KCNH2 (0.40) MAPTSIGMAR1HTR1ADRD2HTR6

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 5 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
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 KDM4E 3662/4885MAPT 731/4885OPRM1 264/4885

“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.