SCHEMBL4331209

SCHEMBL4331209

CCn1c(CN2CCC3(CC2)C(=O)C(N)CN3c2ccccc2)c(Cl)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.39
OPRM1 P35372 14/20 0.39
OPRD1 P41143 14/20 0.39
OPRK1 P41145 14/20 0.39
HSD11B1 P28845 2/20 0.36
CXCR3 P49682 1/20 0.35
PLD2 O14939 1/20 0.35
PLD1 Q13393 1/20 0.35
CACNA1F O60840 1/20 0.34
DRD3 P35462 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8258243 0.82 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1PLD2
SCHEMBL8260241 0.80 DRD4 (0.42) OPRL1OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4319712 0.78 OPRL1 (0.66) OPRL1OPRM1OPRD1OPRK1CACNA1F
SCHEMBL4324565 0.75 OPRM1 (0.51) OPRL1OPRM1OPRD1DRD3
SCHEMBL4328772 0.74 OPRL1 (0.51) OPRL1OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4335040 0.73 HTR1A (0.44)
SCHEMBL4319330 0.73 HSD11B1 (0.40) OPRL1OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4327075 0.72 ALDH1A1 (0.47)
SCHEMBL4328990 0.72 HTR1A (0.47)
SCHEMBL4325925 0.72 MEN1 (0.48) HSD11B1DRD3

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 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.