SCHEMBL4329629

SCHEMBL4329629

Cn1c(CN2CCN(c3ccc(F)cc3F)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 3/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 3/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 2/20 0.42
KCNH2 Q12809 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
DRD4 P21917 1/20 0.42
GRM2 Q14416 1/20 0.42
PTGS2 P35354 1/20 0.41
CHRM4 P08173 1/20 0.40
SMO Q99835 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4318788 0.89 SMN1; SMN2 (0.53) ADRA1BADRA1DADRA1ASMN1; SMN2HTR1A
SCHEMBL4332933 0.88 MAPK1 (0.49) SMN1; SMN2HTR1AHTR7ALDH1A1DRD4
SCHEMBL4329621 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTR7ALDH1A1DRD4GRM5
SCHEMBL4332386 0.86 SMO (0.54) ADRA1BADRA1DADRA1ASMN1; SMN2HTR1A
SCHEMBL4334544 0.85 SMN1; SMN2 (0.50) ADRA1BSMN1; SMN2HTR1AHTR7ALDH1A1
SCHEMBL4327601 0.85 SMN1; SMN2 (0.47) ADRA1BADRA1DADRA1ASMN1; SMN2HTR1A
SCHEMBL4332484 0.85 SMN1; SMN2 (0.56) ADRA1BADRA1DADRA1ASMN1; SMN2HTR1A
SCHEMBL4320070 0.83 ALDH1A1 (0.56) SMN1; SMN2HTR7ALDH1A1DRD4KDM4E
SCHEMBL4334558 0.83 ALDH1A1 (0.51) SMN1; SMN2HTR1AHTR7ALDH1A1DRD4
SCHEMBL4319872 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HTR1AHTR7ALDH1A1DRD4

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 ADRA1B 224/4885ADRA1D 192/4885ADRA1A 186/4885

“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.