SCHEMBL4328909

SCHEMBL4328909

COc1ccccc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccc(Cl)cc3)n2C)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
HTR7 P34969 3/20 0.54
HTR1A P08908 5/20 0.50
MAPK1 P28482 1/20 0.50
CACNA1G O43497 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4325206 0.94 HTR1A (0.57) DRD2DRD4DRD3HRH2HRH1
SCHEMBL4332560 0.93 HTR7 (0.53) DRD2DRD4DRD3HRH2HRH1
SCHEMBL4463603 0.90 DRD2 (0.55) DRD2DRD4DRD3HRH2HRH1
SCHEMBL8254859 0.90 DRD2 (0.55) DRD2DRD4DRD3HRH2HRH1
SCHEMBL4324270 0.90 ADRA1D (0.49) DRD2DRD4DRD3HRH2HRH1
SCHEMBL4322181 0.89 MAPK1 (0.53) DRD2DRD4DRD3HRH2HRH1
SCHEMBL4326325 0.89 ADRA1D (0.50) DRD2DRD4DRD3KDM4EMAPT
SCHEMBL13913809 0.89 HTR7 (0.56) DRD2KDM4EMAPTADRA1DADRA1A
SCHEMBL4331760 0.88 ADRA1D (0.55) DRD2DRD4DRD3HRH2HRH1
SCHEMBL4334356 0.88 KDM4E (0.52) DRD2DRD4DRD3HRH2HRH1

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 4 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
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 DRD2 121/4885DRD4 241/4885DRD3 155/4885

“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.