SCHEMBL4331215

SCHEMBL4331215

Cc1ccc(NC(=O)OC2CCN(C(c3ccccc3)c3c(Br)c(=O)[nH]n3C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.44
ACHE P22303 4/20 0.42
MAOB P27338 2/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM3 P20309 1/20 0.37
PLA2G4A P47712 1/20 0.36
CCR5 P51681 1/20 0.36
CCR3 P51677 1/20 0.35

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
SCHEMBL4326974 0.84 CHRM3 (0.41) CHRM3
SCHEMBL4341393 0.77 CHRM5 (0.40) BCHECHRM3
SCHEMBL4331366 0.77 OPRD1 (0.41) CHRM3
SCHEMBL5317078 0.76 KDM4E (0.50)
SCHEMBL4340798 0.75 MGLL (0.41)
SCHEMBL4334338 0.73 MEN1 (0.38) BCHEACHECCR5
SCHEMBL4322972 0.73 KDM4E (0.39) NPC1RAB9ACCR5
SCHEMBL4327141 0.70 OPRM1 (0.55) MAOBCHRM3
SCHEMBL12890653 0.69 BCHE (0.64) BCHEACHEMAOBNPC1RAB9A
SCHEMBL4341190 0.69 OPRL1 (0.43) CHRM3

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 BCHE 1608/4885ACHE 856/4885MAOB 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.