SCHEMBL4322947

SCHEMBL4322947

CCCn1c(CN2CCC(C(=O)CC)(c3ccccc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.42
SLC18A3 Q16572 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 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
SCHEMBL4327352 0.93 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL4336104 0.91 TACR2 (0.42) OPRM1OPRD1OPRK1
SCHEMBL4339419 0.85 RECQL (0.43) DRD3SLC18A3OPRM1OPRD1OPRK1
SCHEMBL8260330 0.84 OPRM1 (0.39) DRD3OPRM1OPRD1OPRK1
SCHEMBL4324905 0.83 OPRM1 (0.41) DRD3SLC18A3OPRM1OPRD1OPRK1
SCHEMBL13913700 0.82 OPRM1 (0.52) DRD3OPRM1OPRD1
SCHEMBL4331803 0.79 RECQL (0.42) DRD3OPRM1OPRD1OPRK1
SCHEMBL4330930 0.78 OPRM1 (0.41) DRD3OPRM1OPRD1OPRK1
SCHEMBL4328772 0.78 OPRL1 (0.51) DRD3OPRM1OPRD1OPRK1
SCHEMBL4331579 0.76 OPRL1 (0.64) DRD3OPRM1OPRD1OPRK1

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 DRD3 155/4885SLC18A3 109/4885OPRM1 264/4885

“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.