SCHEMBL4325804

SCHEMBL4325804

Cn1c(CN2CCC(CCOc3ccc(Cl)cc3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CHEK2 O96017 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
NPY1R P25929 1/20 0.40

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
SCHEMBL4329706 0.93 TEAD1 (0.43) BCHEACHEDRD2DRD4SIGMAR1
SCHEMBL4326894 0.92 HPGD (0.43) ACHEDRD2DRD4CHEK2
SCHEMBL4329427 0.91 HRH3 (0.43) DRD2DRD4HTR1AHTR7HRH3
SCHEMBL4335818 0.91 KDM4E (0.44) ACHEDRD2DRD4CHEK2
SCHEMBL4334399 0.91 SLC6A3 (0.42) DRD2SIGMAR1HTR1A
SCHEMBL4324440 0.89 MEN1 (0.43) HRH3
SCHEMBL4325201 0.89 ACHE (0.40) FAAHBCHEACHEDRD2DRD4
SCHEMBL4325833 0.87 DRD2 (0.40) BCHEACHEDRD2DRD4HTR1A
SCHEMBL4327350 0.82 TEAD1 (0.41) BCHEACHEDRD2DRD4SIGMAR1
SCHEMBL4318822 0.81 HTR1A (0.45) DRD2SIGMAR1HTR1A

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

“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.