SCHEMBL4332839

SCHEMBL4332839

Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.55
ALDH1A1 P00352 1/20 0.54
SIGMAR1 Q99720 2/20 0.54
KCNH2 Q12809 1/20 0.52
HTR7 P34969 1/20 0.51
KDM4E B2RXH2 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
GAA P10253 1/20 0.51

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 0.92 ALDH1A1 (0.56) ALDH1A1SIGMAR1HTR7KDM4EGAA
SCHEMBL4319476 0.91 ALDH1A1 (0.55) HTR1AALDH1A1KCNH2HTR7KDM4E
SCHEMBL4319837 0.90 DRD2 (0.59) HTR1AALDH1A1KDM4EOPRM1GAA
SCHEMBL4325798 0.89 DRD4 (0.56) HTR1AALDH1A1SIGMAR1HTR7KDM4E
SCHEMBL4334558 0.89 ALDH1A1 (0.51) HTR1AALDH1A1SIGMAR1HTR7KDM4E
SCHEMBL4455998 0.89 HTR1A (0.53) HTR1AALDH1A1SIGMAR1KCNH2HTR7
SCHEMBL4334544 0.89 SMN1; SMN2 (0.50) HTR1AALDH1A1HTR7KDM4E
SCHEMBL4327923 0.88 ALDH1A1 (0.52) HTR1AALDH1A1HTR7KDM4E
SCHEMBL4320102 0.88 ADRA1B (0.52) HTR1AALDH1A1
SCHEMBL4329530 0.87 ALDH1A1 (0.51) HTR1AALDH1A1KCNH2HTR7KDM4E

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 1785/4885SIGMAR1 247/4885

“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.