SCHEMBL4325823

SCHEMBL4325823

CCn1c(C)c(Br)c(=O)n1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
OPRL1 P41146 4/20 0.36
OPRM1 P35372 3/20 0.36
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA2A P29274 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
MAOB P27338 1/20 0.30
ADORA1 P30542 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL4329837 0.81 CNR2 (0.38) GSK3AGSK3BOPRL1OPRM1ALDH1A1
SCHEMBL4323167 0.78 SMURF1 (0.41) MAPK1
SCHEMBL4324410 0.76 SMURF1 (0.39) MAPK1
SCHEMBL4325586 0.71 CNR2 (0.36) GSK3AGSK3BOPRL1OPRM1ALDH1A1
SCHEMBL4322764 0.69 TSHR (0.38) GSK3AGSK3BOPRL1OPRM1ALDH1A1
SCHEMBL4480783 0.68 MAPT (0.43) GSK3AGSK3BALDH1A1TSHRCYP2C9
SCHEMBL4322668 0.68 PARP1 (0.36) GSK3AGSK3BADORA2AMAPK1CTSK
SCHEMBL8100247 0.66 GSK3A (0.44) GSK3AGSK3BALDH1A1ADORA2AMEN1
SCHEMBL11732411 0.65 MAPT (0.40) GSK3AGSK3BALDH1A1TSHRCYP2C9
SCHEMBL4324232 0.61 SMURF1 (0.43)

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 3 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
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 GSK3A 3789/4885GSK3B 3913/4885OPRL1 96/4885

“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.