SCHEMBL4338271

SCHEMBL4338271

CCn1c(CN2CCN(c3ccc(C)c(C)c3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD4 P21917 8/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DRD2 P14416 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
DRD3 P35462 2/20 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
SCHEMBL4327923 0.87 ALDH1A1 (0.52) HTR1AALDH1A1DRD4ADRA2CHTR2A
SCHEMBL4338375 0.87 ALDH1A1 (0.44) HTR1AALDH1A1DRD4KDM4EDRD2
SCHEMBL4328990 0.87 HTR1A (0.47) HTR1AALDH1A1DRD4KDM4EDRD2
SCHEMBL4333350 0.85 SMO (0.52) ALDH1A1DRD4KDM4EDRD2MAPT
SCHEMBL4327075 0.85 ALDH1A1 (0.47) HTR1AALDH1A1DRD4KDM4ESMN1; SMN2
SCHEMBL4319530 0.85 SMN1; SMN2 (0.52) HTR1AALDH1A1DRD4KDM4EDRD2
SCHEMBL4326280 0.84 SMN1; SMN2 (0.44) HTR1ADRD4DRD2SMN1; SMN2MAPT
SCHEMBL4332498 0.82 SMN1; SMN2 (0.62) ALDH1A1DRD4KDM4EDRD2SMN1; SMN2
SCHEMBL4331547 0.82 POLB (0.50) ALDH1A1DRD4KDM4ESMN1; SMN2MAPT
SCHEMBL4331073 0.82 ALDH1A1 (0.49) HTR1AALDH1A1DRD4KDM4E

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 HTR1A 38/4885ALDH1A1 1785/4885DRD4 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.