SCHEMBL4335931

SCHEMBL4335931

CCn1c(CN2CCC3(CC2)C(=O)NN=C3c2ccccc2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HSD11B1 P28845 1/20 0.34
OPRL1 P41146 5/20 0.32
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 4/20 0.32
EGLN1 Q9GZT9 6/20 0.32
CXCR3 P49682 1/20 0.32
SIGMAR1 Q99720 3/20 0.31
DRD2 P14416 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HDAC1 Q13547 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL4325604 0.89 MAPT (0.38) PDE3BPDE3AOPRL1OPRM1OPRD1
SCHEMBL4324383 0.85 HSD11B1 (0.37) HSD11B1OPRL1OPRM1OPRD1OPRK1
SCHEMBL4318605 0.78 OPRL1 (0.35) HSD11B1OPRL1OPRM1EGLN1CXCR3
SCHEMBL12701561 0.78 PDE3B (0.43) PDE3BPDE3AHSD11B1OPRM1OPRD1
SCHEMBL4319333 0.78 SIGMAR1 (0.40) OPRL1OPRM1CXCR3SIGMAR1DRD2
SCHEMBL4324409 0.76 OPRL1 (0.60) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL13914043 0.76 SIGMAR1 (0.39) HSD11B1EGLN1SIGMAR1
SCHEMBL4329767 0.75 CHRNA7 (0.50) SIGMAR1DRD2
SCHEMBL14099394 0.75 OPRL1 (0.47) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL4318372 0.75 DRD2 (0.34) HSD11B1OPRL1OPRM1EGLN1SIGMAR1

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 3 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

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 PDE3B 1736/4885PDE3A 1449/4885HSD11B1 2257/4885

“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.