SCHEMBL4322665

SCHEMBL4322665

CCOc1ccccc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
DRD4 P21917 4/20 0.60
DRD3 P35462 4/20 0.60
HTR1A P08908 2/20 0.52
HTR7 P34969 2/20 0.52
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PTGS2 P35354 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4463603 0.94 DRD2 (0.55) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL8259032 0.91 ADRA1D (0.56) DRD2DRD4DRD3HTR7KDM4E
SCHEMBL4334589 0.90 DRD2 (0.50) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4325206 0.90 HTR1A (0.57) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4332112 0.89 DRD2 (0.58) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4326359 0.88 DRD2 (0.48) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4332484 0.87 SMN1; SMN2 (0.56) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4332295 0.86 SMN1; SMN2 (0.53) DRD2DRD4DRD3HTR1AKDM4E
SCHEMBL4322932 0.84 POLB (0.51) DRD2DRD3HTR1AHTR7KDM4E
SCHEMBL4318261 0.84 SMN1; SMN2 (0.62) DRD2DRD4DRD3HTR1AHTR7

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.