SCHEMBL4328167

SCHEMBL4328167

COc1ccc(Cl)cc1C1=CCN(C(C)c2c(Cl)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RBP4 P02753 1/20 0.33
PARP1 P09874 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
SCHEMBL4330951 0.91 LMNA (0.40) MAPTCCNT1CDK9
SCHEMBL4329543 0.88 TRPV1 (0.35) CCNT1CDK9
SCHEMBL4325711 0.80 TRPV1 (0.33)
SCHEMBL4341403 0.80 OPRM1 (0.41) MAPTOPRM1OPRK1OPRD1GAA
SCHEMBL4329500 0.80 L3MBTL1 (0.39) MAPTTHRBL3MBTL1ALDH1A1KMT2A
SCHEMBL4326923 0.79 ADRA1D (0.45) GAAL3MBTL1ALDH1A1
SCHEMBL4323067 0.77 MCHR1 (0.35) MAPTTHRBOPRM1
SCHEMBL4321305 0.76 OPRM1 (0.41) MAPTOPRM1OPRK1OPRD1GAA
SCHEMBL4340957 0.75 KDM4E (0.41) MAPTTHRBOPRM1OPRK1OPRD1
SCHEMBL4318213 0.74 LMNA (0.43) MAPTGAAFPR1FPR2ALDH1A1

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 MAPT 731/4885THRB 341/4885OPRM1 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.