SCHEMBL4318684

SCHEMBL4318684

COc1ccc(Cl)cc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccc(F)cc3)n2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.47
ADRA1D P25100 7/20 0.47
ADRA1A P35348 7/20 0.47
ADRA1B P35368 7/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4324270 0.94 ADRA1D (0.49) MAPTLMNAKDM4EADRA1DADRA1A
SCHEMBL5264930 0.92 LMNA (0.48) MAPTLMNATSHRADRA1DADRA1A
SCHEMBL8260355 0.92 ADRA1D (0.46) MAPTLMNATSHRKDM4EADRA1D
SCHEMBL4331760 0.90 ADRA1D (0.55) MAPTLMNAKDM4EADRA1DADRA1A
SCHEMBL4328117 0.90 ADRA1D (0.45) MAPTKDM4EADRA1DADRA1AADRA1B
SCHEMBL4334313 0.88 ADRA1D (0.43) MAPTLMNATSHRKDM4EADRA1D
SCHEMBL4327017 0.87 ALDH1A1 (0.48) MAPTLMNAADRA1DADRA1AADRA1B
SCHEMBL4328909 0.86 DRD2 (0.57) MAPTKDM4EMAPK1ADRA1DADRA1A
SCHEMBL4322181 0.84 MAPK1 (0.53) MAPTLMNAKDM4EMAPK1ADRA1D
SCHEMBL4468748 0.83 MEN1 (0.49) MAPTLMNATSHRADRA1DADRA1A

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 MAPT 731/4885LMNA 4231/4885TSHR 240/4885

“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.