SCHEMBL4328173

SCHEMBL4328173

Cn1c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
BCL2A1 Q16548 2/20 0.47
DRD2 P14416 7/20 0.46
DRD4 P21917 7/20 0.46
DRD3 P35462 5/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTR1A P08908 4/20 0.44

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
SCHEMBL4455998 0.90 HTR1A (0.53) ALDH1A1SIGMAR1HTR1A
SCHEMBL4326335 0.89 DRD4 (0.53) ALDH1A1DRD2DRD4DRD3SIGMAR1
SCHEMBL4324271 0.89 ALDH1A1 (0.48) ALDH1A1DRD2DRD4SIGMAR1
SCHEMBL4326085 0.86 KCNH2 (0.53) ALDH1A1DRD2DRD4DRD3
SCHEMBL4329727 0.85 ALDH1A1 (0.48) ALDH1A1DRD4ADRA1DADRA1AADRA1B
SCHEMBL4326331 0.85 SMN1; SMN2 (0.52) ALDH1A1DRD2DRD4DRD3ADRA1D
SCHEMBL4464690 0.84 ALDH1A1 (0.55) ALDH1A1DRD2DRD4DRD3SIGMAR1
SCHEMBL4463803 0.84 GAA (0.48) ALDH1A1DRD2DRD4DRD3SIGMAR1
SCHEMBL4329231 0.82 ALDH1A1 (0.44) ALDH1A1DRD2DRD4DRD3SIGMAR1
SCHEMBL4330079 0.80 ALDH1A1 (0.49) ALDH1A1DRD4ADRA1DADRA1AADRA1B

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 2 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

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 1785/4885BCL2A1 4155/4885DRD2 121/4885

“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.