SCHEMBL4324409

SCHEMBL4324409

CCn1c(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.60
OPRM1 P35372 13/20 0.60
OPRD1 P41143 13/20 0.60
OPRK1 P41145 13/20 0.60
DRD4 P21917 3/20 0.53
SLC6A9 P48067 1/20 0.53
DRD3 P35462 4/20 0.52
CACNA1F O60840 2/20 0.52
CACNA1D Q01668 2/20 0.52
CACNA1S Q13698 2/20 0.52
CACNA1C Q13936 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
DRD2 P14416 3/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRB1 P08588 1/20 0.51
SLC6A2 P23975 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL4319712 0.88 OPRL1 (0.66) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4322410 0.88 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL8258243 0.85 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4339359 0.85 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4332755 0.83 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4327183 0.82 DRD2 (0.52) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4331579 0.81 OPRL1 (0.64) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL9912156 0.79 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4326986 0.79 OPRL1 (0.61) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL4331159 0.78 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1DRD4

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 OPRL1 96/4885OPRM1 264/4885OPRD1 178/4885

“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.