SCHEMBL4325955

SCHEMBL4325955

CCOc1ccccc1N1CCN(Cc2c(Cl)c(=O)n(C3CCCCC3)n2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
DRD4 P21917 6/20 0.54
DRD3 P35462 6/20 0.54
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL4339177 0.90 ADRA1D (0.49) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL4329525 0.87 KDM4E (0.46) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL4322665 0.81 DRD2 (0.60) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL4322941 0.80 HTR2A (0.46) DRD2DRD4DRD3SMN1; SMN2HTR1A
SCHEMBL4325914 0.80 ADRA1D (0.49) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL4463603 0.80 DRD2 (0.55) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL4329762 0.79 ADRA1D (0.49) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL4325610 0.78 ALDH1A1 (0.56) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL4326743 0.78 HTR1A (0.45) DRD2DRD4KMT2AMEN1ALDH1A1
SCHEMBL8259032 0.77 ADRA1D (0.56) DRD2DRD4DRD3ADRA1DADRA1A

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 DRD2 121/4885DRD4 241/4885DRD3 155/4885

“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.