SCHEMBL4333393

SCHEMBL4333393

Cc1ccc(Cl)cc1C1CCN(Cc2c(Cl)c(=O)n(-c3ccc(F)cc3)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
ADRA1B P35368 2/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
ABCB1 P08183 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL8258107 0.90 MEN1 (0.41) HTR1AADRA1BOPRK1KCNH2MEN1
SCHEMBL4468748 0.88 MEN1 (0.49) HTR1AADRA1BMLNRCACNA1FNR1I2
SCHEMBL8260344 0.87 EPHX2 (0.38) HTR1AADRA1BDRD2ADRA1AKCNH2
SCHEMBL4326764 0.82 SMN1; SMN2 (0.42) DRD2DRD3OPRK1KCNH2MEN1
SCHEMBL4327017 0.82 ALDH1A1 (0.48) HTR1AADRA1BADRA1DADRA1AMEN1
SCHEMBL8260649 0.79 SMURF1 (0.40) HTR1AADRA1BADRA2ACHRM1DRD2
SCHEMBL4328972 0.77 KCNH2 (0.43) HTR1ADRD2SLC6A4OPRK1HTR6
SCHEMBL8259509 0.76 ALDH1A1 (0.52) HTR1AADRA1BADRA1DADRA1AMEN1
SCHEMBL4318822 0.76 HTR1A (0.45) HTR1ADRD2DRD1HTR2AHRH1
SCHEMBL4478297 0.75 ALDH1A1 (0.36) OPRK1MEN1KMT2A

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 HTR1A 38/4885ADRA1B 224/4885MLNR 475/4885

“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.