SCHEMBL4327601

SCHEMBL4327601

Cn1c(CN2CCN(c3ccccc3Cl)CC2)c(Cl)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR1A P08908 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 1/20 0.43
SMO Q99835 1/20 0.43
SLC6A4 P31645 1/20 0.43
LMNA P02545 1/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42

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
SCHEMBL4327598 0.93 SMN1; SMN2 (0.53) SMN1; SMN2SLC6A2SLC6A3ALDH1A1HTR1A
SCHEMBL4326325 0.91 ADRA1D (0.50) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4332484 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4332386 0.90 SMO (0.54) SMN1; SMN2KDM4EALDH1A1HTR1ADRD2
SCHEMBL8261032 0.87 ALDH1A1 (0.50) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4318788 0.87 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1NPSR1HTR1A
SCHEMBL4332003 0.86 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL4340969 0.85 DRD2 (0.60) SMN1; SMN2KDM4EALDH1A1HTR1ADRD2
SCHEMBL4329629 0.85 ADRA1B (0.48) SMN1; SMN2SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL4327017 0.84 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NPSR1HTR1ALMNA

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 6 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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO 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 SMN1; SMN2 1220/4885SLC6A2 400/4885SLC6A3 214/4885

“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.