SCHEMBL4324909

SCHEMBL4324909

CCOc1cccc(N2CCN(Cc3c(Cl)c(=O)n(-c4ccc(F)cc4)n3C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCKAR P32238 1/20 0.41
TP53 P04637 1/20 0.41
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
CACNA1G O43497 1/20 0.40
ABCB1 P08183 2/20 0.40

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
SCHEMBL4322932 0.85 POLB (0.51) ALDH1A1MAPTLMNADRD2KDM4E
SCHEMBL4332386 0.85 SMO (0.54) SMOALDH1A1MAPTLMNADRD4
SCHEMBL4334558 0.80 ALDH1A1 (0.51) SMOALDH1A1DRD4KDM4ESMN1; SMN2
SCHEMBL4327601 0.80 SMN1; SMN2 (0.47) SMOALDH1A1LMNADRD4SLC6A2
SCHEMBL4332839 0.80 HTR1A (0.55) ALDH1A1KDM4EKCNH2
SCHEMBL4322665 0.79 DRD2 (0.60) ALDH1A1DRD4DRD2KDM4ESMN1; SMN2
SCHEMBL4320070 0.78 ALDH1A1 (0.56) ALDH1A1MAPTDRD4DRD2KDM4E
SCHEMBL4319476 0.78 ALDH1A1 (0.55) ALDH1A1MAPTDRD4DRD2KDM4E
SCHEMBL4327598 0.77 SMN1; SMN2 (0.53) SMOALDH1A1MAPTLMNASLC6A2
SCHEMBL4327923 0.77 ALDH1A1 (0.52) ALDH1A1MAPTDRD4DRD2KDM4E

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 SMO 3600/4885ALDH1A1 1785/4885MAPT 731/4885

“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.