SCHEMBL4332491

SCHEMBL4332491

CCc1c(CN2CCN(c3ccc(C)cc3C)CC2)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.44
DRD2 P14416 7/20 0.43
DRD4 P21917 5/20 0.43
HTR7 P34969 3/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL4329827 0.89 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4341070 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4319872 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4324537 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1DRD2DRD4POLB
SCHEMBL13914010 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4330975 0.81 KDM4E (0.47) SMN1; SMN2ALDH1A1HTR1AHTR7POLB
SCHEMBL4324532 0.80 HTR1A (0.56) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4465400 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4
SCHEMBL4326280 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HTR1ADRD2DRD4HTR7
SCHEMBL4339349 0.79 DRD2 (0.43) SMN1; SMN2ALDH1A1HTR1ADRD2DRD4

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 3 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

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 1220/4885ALDH1A1 1785/4885HTR1A 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.