SCHEMBL4338375

SCHEMBL4338375

CCn1c(CN2CCN(c3cc(C)cc(C)c3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR1A P08908 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.41
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNA7 P36544 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4328990 0.91 HTR1A (0.47) ALDH1A1KDM4EHTR1ASMN1; SMN2MAPT
SCHEMBL4338271 0.87 HTR1A (0.44) ALDH1A1KDM4EHTR1ASMN1; SMN2MAPT
SCHEMBL4329530 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHTR1ASMN1; SMN2MAPT
SCHEMBL4326280 0.85 SMN1; SMN2 (0.44) HTR1ASMN1; SMN2MAPTHTR7HTT
SCHEMBL4327075 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHTR1ASMN1; SMN2MAPT
SCHEMBL4333350 0.85 SMO (0.52) ALDH1A1KDM4EMAPTHTTDRD4
SCHEMBL4319530 0.85 SMN1; SMN2 (0.52) ALDH1A1KDM4EHTR1ASMN1; SMN2HTR7
SCHEMBL4335040 0.84 HTR1A (0.44) ALDH1A1KDM4EHTR1ASMN1; SMN2MAPT
SCHEMBL4324444 0.83 DRD2 (0.57) ALDH1A1KDM4ESMN1; SMN2DRD4DRD2
SCHEMBL4332498 0.82 SMN1; SMN2 (0.62) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1

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 ALDH1A1 1785/4885KDM4E 3662/4885HTR1A 38/4885

“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.