SCHEMBL4328972

SCHEMBL4328972

Cc1ccc(Cl)cc1C1=CCN(Cc2c(Cl)c(=O)n(-c3ccc(F)cc3)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 5/20 0.38
HTR1A P08908 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR7 P34969 3/20 0.38
HTR6 P50406 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4341198 0.91 OPRM1 (0.43) SIGMAR1DRD2HTR1AHTR6MEN1
SCHEMBL4319927 0.89 LMNA (0.43) KCNH2SIGMAR1ATMMEN1KMT2A
SCHEMBL4319914 0.88 PPARG (0.36) KCNH2DRD2OPRM1OPRK1
SCHEMBL4334582 0.86 KCNH2 (0.40) KCNH2SIGMAR1DRD2HTR1ASLC6A4
SCHEMBL4341403 0.79 OPRM1 (0.41) SIGMAR1DRD2HTR1AHTR6OPRM1
SCHEMBL4329500 0.79 L3MBTL1 (0.39) KCNH2DRD2HTR1ASLC6A4HTR7
SCHEMBL4327017 0.78 ALDH1A1 (0.48) HTR1AMEN1KMT2ANPSR1
SCHEMBL13913823 0.78 HCRTR1 (0.38) SIGMAR1DRD2HTR1A
SCHEMBL8255127 0.78 PPARG (0.31) HTR6OPRM1OPRK1
SCHEMBL4333393 0.77 HTR1A (0.41) KCNH2DRD2HTR1ASLC6A4HTR6

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 4 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
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 KCNH2 610/4885SIGMAR1 247/4885DRD2 121/4885

“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.