SCHEMBL4332484

SCHEMBL4332484

Cn1c(CN2CCN(c3ccccc3Cl)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
PLA2G1B P04054 1/20 0.50
RAB9A P51151 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTR1A P08908 2/20 0.49
ADRA1D P25100 4/20 0.48
ADRA1A P35348 4/20 0.48
ADRA1B P35368 4/20 0.48
HTR7 P34969 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 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
SCHEMBL4340969 0.94 DRD2 (0.60) SMN1; SMN2KDM4EALDH1A1DRD2DRD4
SCHEMBL4326325 0.93 ADRA1D (0.50) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4332295 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4318261 0.92 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1DRD2DRD4
SCHEMBL4320070 0.91 ALDH1A1 (0.56) SMN1; SMN2KDM4EALDH1A1DRD2DRD4
SCHEMBL4318788 0.91 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1DRD2DRD4
SCHEMBL4327601 0.91 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL8257040 0.91 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4320102 0.90 ADRA1B (0.52) SMN1; SMN2ALDH1A1HTR1AADRA1DADRA1A
SCHEMBL4325592 0.89 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A

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 1220/4885KDM4E 3662/4885ALDH1A1 1785/4885

“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.