SCHEMBL4339476

SCHEMBL4339476

CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)ccc2OC(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.53
PDK4 Q16654 1/20 0.53
TNF P01375 1/20 0.49
NAMPT P43490 1/20 0.45
HTR6 P50406 1/20 0.44
GRM1 Q13255 9/20 0.44
GRM5 P41594 8/20 0.44
JAK1 P23458 1/20 0.44
PDE4D Q08499 1/20 0.41
SCN9A Q15858 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL4320016 0.87 CNR1 (0.54) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL23228626 0.85 PDK4 (0.65) CNR1PDK4TNFNAMPTHTR6
SCHEMBL16755813 0.84 TNF (0.53) CNR1PDK4TNFNAMPTHTR6
SCHEMBL4321326 0.83 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL23240953 0.83 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL17222992 0.82 CNR1 (0.53) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL29915673 0.82 CNR1 (0.53) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL25358657 0.82 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1
SCHEMBL15556190 0.82 CNR1 (0.55) CNR1PDK4TNFNAMPTHTR6
SCHEMBL5106249 0.82 CNR1 (0.55) CNR1PDK4NAMPTHTR6GRM1

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 CNR1 100/4885PDK4 696/4885TNF 4326/4885

“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.