SCHEMBL4332560

SCHEMBL4332560

COc1ccc(-n2c(=O)c(Cl)c(CN3CCN(c4ccccc4OC)CC3)n2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.53
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
HTR1A P08908 5/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL4328909 0.93 DRD2 (0.57) HTR7KDM4EHTR1AMAPTKMT2A
SCHEMBL4325206 0.93 HTR1A (0.57) HTR7KDM4EHTR1AMAPTALDH1A1
SCHEMBL8261032 0.93 ALDH1A1 (0.50) HTR7KDM4EHTR1AMAPTALDH1A1
SCHEMBL8259032 0.92 ADRA1D (0.56) HTR7KDM4ETSHRALDH1A1HTT
SCHEMBL4321301 0.91 MAPK1 (0.47) HTR7KDM4ETSHRHTR1AMAPT
SCHEMBL4331959 0.89 ALDH1A1 (0.45) HTR7HTR1AMAPTALDH1A1HTT
SCHEMBL13913982 0.88 KDM4E (0.47) KDM4ETSHRHTR1AMAPTALDH1A1
SCHEMBL8254850 0.88 HTR7 (0.53) HTR7KDM4ETSHRHTR1AMAPT
SCHEMBL13913809 0.88 HTR7 (0.56) HTR7KDM4EHTR1AMAPTHTT
SCHEMBL4322181 0.87 MAPK1 (0.53) HTR7KDM4EHTR1AMAPTALDH1A1

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 HTR7 97/4885KDM4E 3662/4885TSHR 240/4885

“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.