SCHEMBL4320102

SCHEMBL4320102

Cn1c(CN2CCN(c3cc(Cl)ccc3Cl)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 10/20 0.52
HTR1A P08908 10/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ADRA1A P35348 4/20 0.46
ADRA1D P25100 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4334544 0.92 SMN1; SMN2 (0.50) ADRA1BHTR1ASMN1; SMN2ALDH1A1
SCHEMBL4324667 0.92 SMN1; SMN2 (0.53) ADRA1BHTR1ASMN1; SMN2ADRA1AADRA1D
SCHEMBL4332484 0.90 SMN1; SMN2 (0.56) ADRA1BHTR1ASMN1; SMN2ADRA1AADRA1D
SCHEMBL4331760 0.89 ADRA1D (0.55) ADRA1BHTR1AADRA1AADRA1D
SCHEMBL4332839 0.88 HTR1A (0.55) HTR1AALDH1A1
SCHEMBL4326325 0.88 ADRA1D (0.50) ADRA1BHTR1ASMN1; SMN2ADRA1AADRA1D
SCHEMBL4334356 0.87 KDM4E (0.52) ADRA1BHTR1ASMN1; SMN2ADRA1AADRA1D
SCHEMBL4325798 0.86 DRD4 (0.56) HTR1ASMN1; SMN2ALDH1A1
SCHEMBL4320070 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1
SCHEMBL8259509 0.85 ALDH1A1 (0.52) ADRA1BHTR1ASMN1; SMN2ADRA1AADRA1D

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 5 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

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 ADRA1B 224/4885HTR1A 38/4885SMN1; SMN2 1220/4885

“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.