SCHEMBL4326482

SCHEMBL4326482

Cn1c(CN2CCC(CCCc3cccc(F)c3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
CYP2D6 P10635 1/20 0.40
CCR5 P51681 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL4333294 0.91 HRH3 (0.46) ACHECYP2D6
SCHEMBL8252302 0.90 ACHE (0.44) ACHEMAOAMAOBCACNA1GCACNA1H
SCHEMBL4318818 0.90 CYP2D6 (0.46) ACHECYP2D6
SCHEMBL4321333 0.90 ACHE (0.42) ACHEMAOAMAOBCACNA1GCACNA1H
SCHEMBL4335879 0.84 ACHE (0.40) ACHE
SCHEMBL13913573 0.83 HRH3 (0.39) ACHECYP2D6
SCHEMBL4323026 0.83 HRH1 (0.44) ACHEMAOBCHRM4
SCHEMBL4323509 0.82 SLC6A2 (0.40) ACHECHRM4
SCHEMBL4325722 0.81 CCR3 (0.52)
SCHEMBL8258080 0.80 HRH1 (0.49) CHRM4

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 4 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
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 ACHE 856/4885MAOA 836/4885MAOB 715/4885

“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.