SCHEMBL4339066

SCHEMBL4339066

CC(c1c(Cl)c(=O)n(-c2ccc(OC(F)(F)F)cc2)n1C)N1CCC(CCOc2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 6/20 0.38
CHRM5 P08912 1/20 0.36
CHRM4 P08173 5/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
MGLL Q99685 1/20 0.34
ATM Q13315 1/20 0.34
LIPE Q05469 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
SCHEMBL4323056 0.94 OPRM1 (0.38) OPRM1CHRM4NPBWR1MCHR1LIPE
SCHEMBL4338367 0.92 OPRM1 (0.36) OPRM1HRH3CHRM4NPBWR1MCHR1
SCHEMBL4324395 0.92 KDM4E (0.38) OPRM1CHRM4NPBWR1MCHR1
SCHEMBL8254873 0.91 DRD2 (0.41) HRH3SIGMAR1
SCHEMBL8260395 0.88 HTR1A (0.36) HRH3SIGMAR1
SCHEMBL4327176 0.84 HRH3 (0.34) HRH3MCHR1
SCHEMBL4318722 0.83 CHRM4 (0.40) OPRM1CHRM5CHRM4
SCHEMBL4334455 0.83 KDM4E (0.39) MCHR1
SCHEMBL4325423 0.82 LIPE (0.39) OPRM1CHRM4NPBWR1MCHR1LIPE
SCHEMBL4324374 0.82 OPRM1 (0.36) OPRM1CHRM5CHRM4NPBWR1MCHR1

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 264/4885HRH3 262/4885SIGMAR1 247/4885

“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.