SCHEMBL4455968

SCHEMBL4455968

Cn1c(CN2CCC(c3ccc([S+](C)[O-])cc3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 3/20 0.38
DRD2 P14416 6/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
HTR1A P08908 1/20 0.36
ADRA1B P35368 1/20 0.36
PARP1 P09874 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR7 P34969 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4478297 0.80 ALDH1A1 (0.36) MEN1KMT2AGRM2ALDH1A1
SCHEMBL4326762 0.77 SMN1; SMN2 (0.43) MEN1KMT2AHTR1AADRA1BKDM4E
SCHEMBL4332408 0.76 CCR3 (0.56) KCNH2KDM4EALDH1A1
SCHEMBL4325925 0.76 MEN1 (0.48) MEN1KMT2AGRM2DRD2DRD4
SCHEMBL4331832 0.76 LMNA (0.50) MEN1KMT2AGRM2DRD2DRD4
SCHEMBL4318131 0.76 DRD2 (0.47) MEN1KMT2AGRM2DRD2DRD4
SCHEMBL4326764 0.75 SMN1; SMN2 (0.42) MEN1KMT2ADRD2DRD3KCNH2
SCHEMBL8258107 0.75 MEN1 (0.41) MEN1KMT2AHTR1AADRA1BKCNH2
SCHEMBL4320070 0.75 ALDH1A1 (0.56) DRD2DRD4SIGMAR1HTR7KDM4E
SCHEMBL13913957 0.74 GRM2 (0.43) MEN1KMT2AGRM2DRD2DRD4

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 MEN1 3300/4885KMT2A 2407/4885GRM2 6/4885

“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.