SCHEMBL4324271

SCHEMBL4324271

Cn1c(CN2CCN(c3ccccc3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD4 P21917 1/20 0.48
DRD2 P14416 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GFER P55789 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.46
CHRNA7 P36544 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL4329727 0.94 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DRD4KDM4EMAPT
SCHEMBL4326335 0.93 DRD4 (0.53) ALDH1A1SMN1; SMN2DRD4DRD2SIGMAR1
SCHEMBL4329231 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2DRD4DRD2SIGMAR1
SCHEMBL4464690 0.93 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2DRD4DRD2SIGMAR1
SCHEMBL4463803 0.93 GAA (0.48) ALDH1A1SMN1; SMN2DRD4DRD2SIGMAR1
SCHEMBL4455998 0.90 HTR1A (0.53) ALDH1A1SIGMAR1KDM4EGAAKCNH2
SCHEMBL4326085 0.90 KCNH2 (0.53) ALDH1A1SMN1; SMN2DRD4DRD2MAPT
SCHEMBL4326331 0.89 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2DRD4DRD2KDM4E
SCHEMBL4328173 0.89 ALDH1A1 (0.47) ALDH1A1DRD4DRD2SIGMAR1
SCHEMBL4332404 0.87 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2DRD4DRD2KDM4E

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 1785/4885SMN1; 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.