SCHEMBL4332408

SCHEMBL4332408

Cn1c(CN2CCC(Cc3ccccc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.56
ALDH1A1 P00352 3/20 0.54
ATM Q13315 3/20 0.54
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
PRMT3 O60678 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4335323 0.87 ACHE (0.46)
SCHEMBL4325722 0.86 CCR3 (0.52) CCR3ALDH1A1ATMGAASLC6A2
SCHEMBL4338381 0.81 CYP2D6 (0.48) SLC6A4
SCHEMBL4320070 0.81 ALDH1A1 (0.56) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL4326762 0.78 SMN1; SMN2 (0.43) ALDH1A1ATMGAAKDM4EHTT
SCHEMBL4332484 0.78 SMN1; SMN2 (0.56) ALDH1A1KDM4EHTT
SCHEMBL4329502 0.77 CHRM4 (0.48)
SCHEMBL4325798 0.77 DRD4 (0.56) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL8258107 0.77 MEN1 (0.41) ALDH1A1GAAKCNH2
SCHEMBL4326764 0.77 SMN1; SMN2 (0.42) ALDH1A1GAAKCNH2

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 CCR3 3456/4885ALDH1A1 1785/4885ATM 1561/4885

“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.