SCHEMBL4325201

SCHEMBL4325201

CCn1c(CN2CCC(CCOc3ccc(Cl)cc3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
BCHE P06276 2/20 0.40
FAAH O00519 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CHEK2 O96017 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
SLC2A1 P11166 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL4327350 0.94 TEAD1 (0.41) ACHEBCHEDRD2DRD4CHEK2
SCHEMBL4318219 0.92 CHEK2 (0.39) ACHEBCHEDRD2DRD4CHEK2
SCHEMBL4329772 0.91 KDM4E (0.41) ACHEBCHEDRD2DRD4CHEK2
SCHEMBL4326747 0.91 DRD2 (0.41) DRD2DRD4HRH3ALDH1A1KMT2A
SCHEMBL4324555 0.91 SLC6A3 (0.41) DRD2DRD4
SCHEMBL4334366 0.90 MEN1 (0.42) HRH3MEN1
SCHEMBL4325804 0.89 FAAH (0.41) ACHEBCHEFAAHDRD2DRD4
SCHEMBL13914103 0.89 TEAD1 (0.37) ACHEBCHEDRD2DRD4CHEK2
SCHEMBL4328154 0.88 DRD2 (0.39) ACHEBCHEDRD2DRD4CHEK2
SCHEMBL4329706 0.82 TEAD1 (0.43) ACHEBCHEDRD2DRD4CHEK2

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 ACHE 856/4885BCHE 1608/4885FAAH 918/4885

“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.