SCHEMBL4329427

SCHEMBL4329427

Cn1c(CN2CCC(CCOc3cccc(Cl)c3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.40
MCHR1 Q99705 1/20 0.40
CHRM4 P08173 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 0.92 TEAD1 (0.43) HRH3DRD2DRD4HTR1AHTR7
SCHEMBL4335818 0.91 KDM4E (0.44) DRD2DRD4MCHR1
SCHEMBL4325804 0.91 FAAH (0.41) HRH3DRD2DRD4HTR1AHTR7
SCHEMBL4326747 0.90 DRD2 (0.41) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL4325833 0.88 DRD2 (0.40) DRD2DRD4HTR1AHTR7KMT2A
SCHEMBL4326894 0.86 HPGD (0.43) DRD2DRD4
SCHEMBL4334399 0.85 SLC6A3 (0.42) DRD2HTR1ACHRM4
SCHEMBL4324440 0.84 MEN1 (0.43) HRH3KMT2AMEN1
SCHEMBL4338172 0.81 KDM4E (0.44) DRD2DRD4HTT
SCHEMBL4329772 0.81 KDM4E (0.41) DRD2DRD4SMN1; SMN2

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 HRH3 262/4885DRD2 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.