SCHEMBL4324905

SCHEMBL4324905

CCC(=O)C1(c2ccccc2)CCN(Cc2c(Cl)c(=O)n(-c3ccc(F)cc3)n2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
SLC18A3 Q16572 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CXCR3 P49682 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 3/20 0.38

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
SCHEMBL4330930 0.93 OPRM1 (0.41) OPRM1OPRD1LMNASMN1; SMN2CXCR3
SCHEMBL4339419 0.93 RECQL (0.43) OPRM1OPRD1SLC18A3CXCR3DRD3
SCHEMBL4331803 0.85 RECQL (0.42) OPRM1OPRD1LMNACXCR3DRD3
SCHEMBL4322947 0.83 DRD3 (0.42) OPRM1OPRD1SLC18A3DRD3OPRK1
SCHEMBL4319358 0.83 RECQL (0.44) OPRM1OPRD1CXCR3DRD3OPRK1
SCHEMBL4327050 0.81 OPRM1 (0.51) OPRM1OPRD1DRD3
SCHEMBL4332386 0.78 SMO (0.54) LMNASMN1; SMN2DRD3
SCHEMBL4319719 0.78 SLC18A3 (0.49) OPRM1OPRD1SLC18A3DRD3OPRK1
SCHEMBL4327352 0.77 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL4331749 0.75 OPRM1 (0.62) OPRM1OPRD1LMNASMN1; SMN2DRD3

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 OPRM1 264/4885OPRD1 178/4885SLC18A3 109/4885

“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.