SCHEMBL4332571

SCHEMBL4332571

Cn1c(CN2CCC3(CC2)C(=O)N(O)CC3c2cccnc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
OPRM1 P35372 5/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
NPEPPS P55786 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
CHRM2 P08172 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4322955 0.76 SLC6A9 (0.46) OPRM1OPRL1
SCHEMBL4322675 0.73 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL4324265 0.71 OPRL1 (0.50) OPRM1OPRL1MAPTKMT2AMEN1
SCHEMBL4318131 0.71 DRD2 (0.47) MAPTKMT2AMEN1SIGMAR1
SCHEMBL4331687 0.71 EGLN1 (0.48) EGLN1MAPT
SCHEMBL4328079 0.70 DRD2 (0.43) MAPTLMNAKMT2ACHRM2GAA
SCHEMBL4318268 0.70 SLC6A9 (0.40) OPRM1OPRL1
SCHEMBL4319479 0.70 MAPT (0.44) MAPTCXCR3
SCHEMBL4332574 0.70 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1HDAC1
SCHEMBL4329231 0.69 ALDH1A1 (0.44) MAPTPOLBSIGMAR1HTTGAA

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 RXFP1 205/4885OPRM1 264/4885OPRD1 178/4885

“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.