SCHEMBL4329231

SCHEMBL4329231

Cn1c(CN2CCN(c3ccncc3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 2/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
GFER P55789 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 1/20 0.40
DRD3 P35462 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
SCHEMBL4324271 0.93 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DRD4KDM4EPOLB
SCHEMBL4329727 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DRD4KDM4EPOLB
SCHEMBL4463803 0.86 GAA (0.48) ALDH1A1SMN1; SMN2DRD4KDM4EGAA
SCHEMBL4326335 0.86 DRD4 (0.53) ALDH1A1SMN1; SMN2DRD4KDM4EPOLB
SCHEMBL4464690 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2DRD4KDM4EPOLB
SCHEMBL4326085 0.83 KCNH2 (0.53) ALDH1A1SMN1; SMN2DRD4MAPTDRD2
SCHEMBL4455998 0.83 HTR1A (0.53) ALDH1A1KDM4EGAASIGMAR1
SCHEMBL4326331 0.83 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2DRD4KDM4EDRD2
SCHEMBL4328173 0.82 ALDH1A1 (0.47) ALDH1A1DRD4DRD2SIGMAR1DRD3
SCHEMBL4332404 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2DRD4KDM4EPOLB

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 ALDH1A1 1785/4885SMN1; SMN2 1220/4885DRD4 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.