SCHEMBL4331749

SCHEMBL4331749

Cn1c(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)c(Cl)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.62
OPRK1 P41145 10/20 0.62
OPRL1 P41146 10/20 0.62
OPRD1 P41143 9/20 0.62
DRD3 P35462 4/20 0.58
CYP1A2 P05177 3/20 0.58
ADRB1 P08588 3/20 0.58
CYP2D6 P10635 3/20 0.58
DRD2 P14416 3/20 0.58
ADRA2B P18089 3/20 0.58
ADRA2C P18825 3/20 0.58
HTR2A P28223 3/20 0.58
SLC6A4 P31645 3/20 0.58
ADRA1A P35348 3/20 0.58
HRH1 P35367 3/20 0.58
HTR2B P41595 3/20 0.58
HTR6 P50406 3/20 0.58
SLC6A3 Q01959 3/20 0.58
NR1I2 O75469 2/20 0.58
ADRB2 P07550 2/20 0.58

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
SCHEMBL4322701 0.94 OPRL1 (0.69) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4325558 0.93 OPRL1 (0.64) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4330931 0.90 OPRL1 (0.59) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4329008 0.90 OPRL1 (0.59) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL8260673 0.89 OPRL1 (0.60) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4325841 0.88 OPRL1 (0.56) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4331159 0.87 OPRL1 (0.62) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4329700 0.86 OPRL1 (0.61) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4331579 0.83 OPRL1 (0.64) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL4319712 0.83 OPRL1 (0.66) OPRM1OPRK1OPRL1OPRD1DRD3

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 OPRM1 264/4885OPRK1 169/4885OPRL1 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.