SCHEMBL4332933

SCHEMBL4332933

COc1cc(F)ccc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
DRD2 P14416 4/20 0.48
DRD4 P21917 4/20 0.48
HTR1A P08908 5/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
HRH2 P25021 3/20 0.44
DRD3 P35462 3/20 0.44
HRH1 P35367 2/20 0.44
KMT2A Q03164 1/20 0.43
HTR7 P34969 2/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL4334356 0.90 KDM4E (0.52) DRD2DRD4HTR1AKDM4ESMN1; SMN2
SCHEMBL4325206 0.90 HTR1A (0.57) MAPK1DRD2DRD4HTR1AKDM4E
SCHEMBL13913982 0.90 KDM4E (0.47) HTR1AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4326476 0.89 HTR1A (0.48) MAPK1DRD2DRD4HTR1AKDM4E
SCHEMBL4329629 0.88 ADRA1B (0.48) DRD4HTR1AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4331760 0.85 ADRA1D (0.55) DRD2DRD4HTR1AKDM4EMAPT
SCHEMBL4328909 0.84 DRD2 (0.57) MAPK1DRD2DRD4HTR1AKDM4E
SCHEMBL4329621 0.84 SMN1; SMN2 (0.43) DRD2DRD4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4322181 0.84 MAPK1 (0.53) MAPK1DRD2DRD4HTR1AKDM4E
SCHEMBL4332560 0.83 HTR7 (0.53) MAPK1DRD2DRD4HTR1AKDM4E

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 MAPK1 1007/4885DRD2 121/4885DRD4 241/4885

“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.