SCHEMBL4336104

SCHEMBL4336104

CCCn1c(CN2CCC(C(C)=O)(c3ccccc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.42
TACR1 P25103 2/20 0.42
TACR3 P29371 2/20 0.42
HTR7 P34969 1/20 0.40
OPRM1 P35372 6/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRL1 P41146 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
KCNA3 P22001 2/20 0.37

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
SCHEMBL4322947 0.91 DRD3 (0.42) OPRM1OPRD1OPRK1
SCHEMBL4327352 0.90 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1SLC22A1
SCHEMBL8260330 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4319358 0.83 RECQL (0.44) TACR2TACR1TACR3HTR7OPRM1
SCHEMBL13913700 0.82 OPRM1 (0.52) OPRM1OPRD1OPRL1ADRA1A
SCHEMBL4328772 0.79 OPRL1 (0.51) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13914018 0.78 TACR2 (0.41) TACR2TACR1TACR3HTR7OPRM1
SCHEMBL4331579 0.77 OPRL1 (0.64) OPRM1OPRD1OPRK1OPRL1ADRA1A
SCHEMBL4331803 0.76 RECQL (0.42) OPRM1OPRD1OPRK1ADRA1AKCNA3
SCHEMBL4339419 0.76 RECQL (0.43) OPRM1OPRD1OPRK1ADRA1AKCNA3

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 TACR2 223/4885TACR1 230/4885TACR3 272/4885

“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.