SCHEMBL4340795

SCHEMBL4340795

Cn1c(CN2CCC(C(=O)Oc3ccccc3)CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5317082 0.88 ALDH1A1 (0.54) CCR8KDM4EALDH1A1TSHRMEN1
SCHEMBL27692169 0.87 L3MBTL1 (0.44) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL4322969 0.86 ALDH1A1 (0.44) CCR8KDM4EALDH1A1MAPT
SCHEMBL4319479 0.82 MAPT (0.44) ALDH1A1MAPT
SCHEMBL4329706 0.80 TEAD1 (0.43)
SCHEMBL4318131 0.79 DRD2 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4333171 0.78 SMN1; SMN2 (0.45) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL4325722 0.78 CCR3 (0.52) ALDH1A1
SCHEMBL13913961 0.77 PARP1 (0.41) MAPT
SCHEMBL8259826 0.77 MAPT (0.44) ALDH1A1LMNAMAPTTSHRMEN1

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 CCR8 4297/4885KDM4E 3662/4885ALDH1A1 1785/4885

“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.