SCHEMBL8260673

SCHEMBL8260673

COc1ccc(-n2c(=O)c(Cl)c(CN3CCC4(CC3)C(=O)NCN4c3ccccc3)n2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.60
OPRM1 P35372 10/20 0.60
OPRK1 P41145 9/20 0.60
OPRD1 P41143 8/20 0.60
DRD3 P35462 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
CACNA1F O60840 2/20 0.51
CACNA1D Q01668 2/20 0.51
CACNA1S Q13698 2/20 0.51
CACNA1C Q13936 2/20 0.51
ADRB1 P08588 2/20 0.51
DRD2 P14416 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
ADRA1B P35368 2/20 0.51
SLC6A3 Q01959 2/20 0.51
CHRM2 P08172 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR1A P08908 3/20 0.50

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 0.93 OPRL1 (0.69) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4325558 0.91 OPRL1 (0.64) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4325841 0.90 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4331749 0.89 OPRM1 (0.62) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4330931 0.87 OPRL1 (0.59) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4334961 0.85 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4329008 0.85 OPRL1 (0.59) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL4329700 0.84 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL21634301 0.83 OPRL1 (0.78) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL7838667 0.83 OPRL1 (0.78) OPRL1OPRM1OPRK1OPRD1DRD3

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
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 OPRL1 96/4885OPRM1 264/4885OPRK1 169/4885

“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.