SCHEMBL4318372

SCHEMBL4318372

C#CCN1N=C(c2ccc(F)cc2)C2(CCN(Cc3c(Br)c(=O)n(-c4ccccc4)n3CC)CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
OPRL1 P41146 5/20 0.32
OPRM1 P35372 4/20 0.32
HSD11B1 P28845 1/20 0.31
EGLN1 Q9GZT9 3/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL4334661 0.92 DRD2 (0.33) DRD2SIGMAR1OPRL1OPRM1HSD11B1
SCHEMBL4329852 0.92 DRD2 (0.33) DRD2SIGMAR1OPRL1OPRM1HSD11B1
SCHEMBL4319333 0.89 SIGMAR1 (0.40) DRD2SIGMAR1OPRL1OPRM1GRIN2D
SCHEMBL4318605 0.86 OPRL1 (0.35) OPRL1OPRM1HSD11B1EGLN1
SCHEMBL4323012 0.80 DRD2 (0.39) DRD2SIGMAR1OPRL1OPRM1HSD11B1
SCHEMBL4325132 0.79 DRD2 (0.41) DRD2SIGMAR1OPRL1OPRM1GRIN2D
SCHEMBL4335931 0.75 PDE3B (0.34) DRD2SIGMAR1OPRL1OPRM1HSD11B1
SCHEMBL4328880 0.71 CXCR3 (0.38) DRD2OPRL1HSD11B1
SCHEMBL4321309 0.70 DRD2 (0.37) DRD2SIGMAR1OPRL1OPRM1
SCHEMBL13914043 0.70 SIGMAR1 (0.39) SIGMAR1HSD11B1EGLN1

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 DRD2 121/4885SIGMAR1 247/4885OPRL1 96/4885

“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.