SCHEMBL4331180

SCHEMBL4331180

CN(C)c1ccc(C2CNC(=O)C23CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.41
PLD1 Q13393 5/20 0.41
PLD2 O14939 4/20 0.41
MMP13 P45452 1/20 0.40
OPRM1 P35372 4/20 0.40
SLC6A5 Q9Y345 3/20 0.40
TGFBR1 P36897 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5563268 0.88 SLC6A9 (0.52) SLC6A9PLD1PLD2OPRM1SLC6A5
SCHEMBL1138300 0.87 SLC6A9 (0.54) SLC6A9PLD1PLD2OPRM1SLC6A5
SCHEMBL4334410 0.87 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5563352 0.86 SLC6A9 (0.54) SLC6A9PLD1PLD2
SCHEMBL939206 0.86 GPR119 (0.43) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5557626 0.85 SLC6A9 (0.53) SLC6A9PLD1PLD2OPRM1SLC6A5
SCHEMBL14058697 0.83 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL14057437 0.81 SLC6A9 (0.48) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL14057977 0.76 SLC6A9 (0.48) SLC6A9OPRM1KCNH2
SCHEMBL15437748 0.76 DDB1 (0.44)

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 SLC6A9 733/4885PLD1 869/4885PLD2 1105/4885

“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.