SCHEMBL4335818

SCHEMBL4335818

Cn1c(CN2CCC(CCOc3ccc(Cl)c(Cl)c3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
CHEK2 O96017 2/20 0.41
MAOA P21397 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.40
MCHR1 Q99705 1/20 0.39
HRH1 P35367 3/20 0.39
CCR3 P51677 3/20 0.39
KCNH2 Q12809 2/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL4329427 0.91 HRH3 (0.43) DRD2DRD4MCHR1
SCHEMBL4325804 0.91 FAAH (0.41) DRD2DRD4CHEK2ACHE
SCHEMBL4329706 0.90 TEAD1 (0.43) DRD2DRD4CHEK2KCNH2ACHE
SCHEMBL4329772 0.90 KDM4E (0.41) KDM4EDRD2DRD4CHEK2MAOA
SCHEMBL4325833 0.89 DRD2 (0.40) DRD2DRD4MAOAMAOBMCHR1
SCHEMBL4326894 0.88 HPGD (0.43) DRD2DRD4CHEK2KCNH2ACHE
SCHEMBL4334399 0.87 SLC6A3 (0.42) DRD2HRH1
SCHEMBL4324440 0.86 MEN1 (0.43)
SCHEMBL4327216 0.81 KDM4E (0.43) KDM4ECHEK2
SCHEMBL4326747 0.81 DRD2 (0.41) KDM4EDRD2DRD4ALDH1A1MCHR1

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 KDM4E 3662/4885DRD2 121/4885DRD4 241/4885

“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.