SCHEMBL4334544

SCHEMBL4334544

Cn1c(CN2CCN(c3ccc(Cl)cc3Cl)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 2/20 0.45
HTR1A P08908 5/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
DRD3 P35462 1/20 0.44
HTR7 P34969 1/20 0.43
ADRA1B P35368 1/20 0.42

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
SCHEMBL4320102 0.92 ADRA1B (0.52) SMN1; SMN2ALDH1A1HTR1AADRA1B
SCHEMBL4324667 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HTR1AMAPTADRA1B
SCHEMBL4334356 0.90 KDM4E (0.52) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4332839 0.89 HTR1A (0.55) ALDH1A1HTR1AKDM4EHTR7
SCHEMBL4332484 0.89 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4331760 0.88 ADRA1D (0.55) HTR1ADRD2DRD4KDM4EMAPT
SCHEMBL4325798 0.87 DRD4 (0.56) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4320070 0.87 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1DRD2DRD4KDM4E
SCHEMBL4335040 0.87 HTR1A (0.44) SMN1; SMN2SLC6A2SLC6A4ALDH1A1HTR1A
SCHEMBL4326325 0.86 ADRA1D (0.50) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4

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 SMN1; SMN2 1220/4885SLC6A2 400/4885SLC6A4 248/4885

“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.