SCHEMBL4334471

SCHEMBL4334471

Cn1c(CN2CCN(c3ccccc3C(F)(F)F)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD4 P21917 2/20 0.47
GRM2 Q14416 1/20 0.47
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.43
HTR7 P34969 3/20 0.43
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.43
HSD11B1 P28845 3/20 0.42
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.39
FAAH O00519 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
SCHEMBL4332484 0.88 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4322688 0.88 ADRA1D (0.44) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4339034 0.87 HSD11B1 (0.61) ALDH1A1HSD11B1
SCHEMBL4318788 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4340969 0.85 DRD2 (0.60) ALDH1A1SMN1; SMN2DRD4HTR1ADRD2
SCHEMBL4318261 0.85 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4332295 0.85 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4320070 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2DRD4DRD2HTR7
SCHEMBL8257040 0.84 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4320868 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2DRD4HTR1ADRD2

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 4 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
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 ALDH1A1 1785/4885SMN1; SMN2 1220/4885ADRA1D 192/4885

“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.