SCHEMBL4330079

SCHEMBL4330079

Cn1c(CN2CCN(c3ccc(Br)cc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD4 P21917 2/20 0.45
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43
BCHE P06276 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL4320070 0.93 ALDH1A1 (0.56) ALDH1A1KDM4EHTTSMN1; SMN2DRD4
SCHEMBL4325798 0.91 DRD4 (0.56) ALDH1A1KDM4EHTTSMN1; SMN2DRD4
SCHEMBL4325976 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2ADRA1D
SCHEMBL8260671 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2DRD4
SCHEMBL4321933 0.89 DRD4 (0.55) ALDH1A1KDM4EHTTSMN1; SMN2DRD4
SCHEMBL4332386 0.89 SMO (0.54) ALDH1A1KDM4EHTTSMN1; SMN2ADRA1D
SCHEMBL4327163 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2ADRA1D
SCHEMBL4327075 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHTTSMN1; SMN2ADRA1D
SCHEMBL4332839 0.85 HTR1A (0.55) ALDH1A1KDM4EKCNH2GAA
SCHEMBL4322932 0.85 POLB (0.51) ALDH1A1KDM4EHTTSMN1; SMN2ADRA1A

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 3662/4885HTT 377/4885

“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.