SCHEMBL4326280

SCHEMBL4326280

CCn1c(CN2CCN(c3ccc(C)cc3C)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 7/20 0.43
DRD4 P21917 5/20 0.43
ABCB1 P08183 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
MAPT P10636 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
SCHEMBL4319530 0.90 SMN1; SMN2 (0.52) SMN1; SMN2DRD2DRD4ABCB1HTT
SCHEMBL4339349 0.88 DRD2 (0.43) SMN1; SMN2DRD2DRD4ABCB1POLB
SCHEMBL4319872 0.88 SMN1; SMN2 (0.53) SMN1; SMN2DRD2DRD4POLBHTT
SCHEMBL4335040 0.87 HTR1A (0.44) SMN1; SMN2DRD2DRD4HTR7HTR1A
SCHEMBL4338375 0.85 ALDH1A1 (0.44) SMN1; SMN2DRD2DRD4HTTHTR7
SCHEMBL4332498 0.85 SMN1; SMN2 (0.62) SMN1; SMN2DRD2DRD4ABCB1POLB
SCHEMBL4338271 0.84 HTR1A (0.44) SMN1; SMN2DRD2DRD4HTR1AMAPT
SCHEMBL4324444 0.83 DRD2 (0.57) SMN1; SMN2DRD2DRD4
SCHEMBL4328990 0.83 HTR1A (0.47) SMN1; SMN2DRD2DRD4HTTHTR1A
SCHEMBL8258032 0.82 SMN1; SMN2 (0.44) SMN1; SMN2DRD2DRD4ABCB1HTT

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 1220/4885DRD2 121/4885DRD4 241/4885

“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.