SCHEMBL4465400

SCHEMBL4465400

CCCn1c(CN2CCN(c3ccc(C)cc3C)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTR7 P34969 3/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 7/20 0.41
DRD4 P21917 5/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
IGF1R P08069 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
SCHEMBL4339349 0.92 DRD2 (0.43) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL4341070 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL4326280 0.80 SMN1; SMN2 (0.44) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL4329827 0.80 SMN1; SMN2 (0.54) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL4332491 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL4319872 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL8259046 0.78 DRD2 (0.38) SMN1; SMN2HTR1ADRD2HTTPOLB
SCHEMBL4329767 0.77 CHRNA7 (0.50) HTR7HTR1ADRD2DRD4HTT
SCHEMBL4334275 0.77 KDM4E (0.46) SMN1; SMN2HTR7HTR1ADRD2DRD4
SCHEMBL4327541 0.75 ADRA1B (0.48) SMN1; SMN2HTR1AHTTMAPTMEN1

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 SMN1; SMN2 1220/4885HTR7 97/4885HTR1A 38/4885

“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.