SCHEMBL4325604

SCHEMBL4325604

Cn1c(CN2CCC3(CC2)C(=O)NN=C3c2ccccc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
EGLN1 Q9GZT9 6/20 0.33
OPRL1 P41146 5/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MCHR1 Q99705 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 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
SCHEMBL4335931 0.89 PDE3B (0.34) PDE3BPDE3AEGLN1OPRL1OPRM1
SCHEMBL4325132 0.77 DRD2 (0.41) MAPTOPRL1OPRM1DRD2SIGMAR1
SCHEMBL14099394 0.77 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1HTR2A
SCHEMBL8257304 0.76 SIGMAR1 (0.44) MAPTSMN1; SMN2SIGMAR1
SCHEMBL8258571 0.75 SIGMAR1 (0.43) MAPTEGLN1SMN1; SMN2OPRM1OPRK1
SCHEMBL4322410 0.75 OPRL1 (0.62) MAPTOPRL1SMN1; SMN2OPRM1OPRD1
SCHEMBL4324265 0.75 OPRL1 (0.50) MAPTOPRL1OPRM1DRD2SIGMAR1
SCHEMBL12701561 0.75 PDE3B (0.43) PDE3BPDE3ASMN1; SMN2OPRM1OPRD1
SCHEMBL4341087 0.75 ADRA1D (0.43) MAPTOPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL4319725 0.74 SIGMAR1 (0.43) MAPTSMN1; SMN2HTR6SIGMAR1

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 MAPT 731/4885PDE3B 1736/4885PDE3A 1449/4885

“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.