SCHEMBL4332295

SCHEMBL4332295

CCc1ccccc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
PLA2G1B P04054 1/20 0.47
RAB9A P51151 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
DRD4 P21917 4/20 0.46
HTR1A P08908 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTT P42858 1/20 0.46
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
BCHE P06276 1/20 0.41

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
SCHEMBL4332484 0.92 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4EPLA2G1BRAB9A
SCHEMBL4318261 0.89 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EDRD2DRD3
SCHEMBL4340969 0.89 DRD2 (0.60) SMN1; SMN2ALDH1A1KDM4EDRD2DRD3
SCHEMBL4320070 0.88 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EDRD2DRD4
SCHEMBL4318788 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EDRD2DRD3
SCHEMBL8257040 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EPLA2G1BRAB9A
SCHEMBL4322665 0.86 DRD2 (0.60) SMN1; SMN2ALDH1A1KDM4EDRD2DRD3
SCHEMBL4333241 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1DRD2DRD3DRD4
SCHEMBL4326777 0.86 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KDM4EDRD2DRD3
SCHEMBL4325206 0.86 HTR1A (0.57) SMN1; SMN2ALDH1A1KDM4EDRD2DRD3

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 1220/4885ALDH1A1 1785/4885KDM4E 3662/4885

“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.