SCHEMBL4331155

SCHEMBL4331155

CC(c1c(Cl)c(=O)n(-c2ccccc2)n1C)N1CCN(c2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
ADRA1B P35368 4/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
HTR1A P08908 3/20 0.39
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 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
SCHEMBL4328268 0.92 MAPT (0.44) ALDH1A1GAAKMT2AHPGDADRA1B
SCHEMBL4327941 0.90 SMN1; SMN2 (0.43) ALDH1A1GAAKMT2AFPR1FPR2
SCHEMBL4326923 0.89 ADRA1D (0.45) ALDH1A1GAAADRA1BHTR1AADRA1A
SCHEMBL4329678 0.83 HTT (0.42) ALDH1A1KMT2AHPGDMEN1MAPT
SCHEMBL4319168 0.82 GAA (0.41) ALDH1A1GAAFPR1FPR2HTR1A
SCHEMBL4326847 0.82 HTR1A (0.48) ALDH1A1GAAHTR1AMAPK1MAPT
SCHEMBL4319074 0.82 AR (0.43) ALDH1A1KMT2AMCOLN3MEN1NPSR1
SCHEMBL4318213 0.79 LMNA (0.43) ALDH1A1GAAKMT2AFPR1FPR2
SCHEMBL4327044 0.79 LMNA (0.48) ALDH1A1ADRA1BHTR1AADRA1AMAPT
SCHEMBL4320102 0.77 ADRA1B (0.52) ALDH1A1ADRA1BHTR1AADRA1ASMN1; SMN2

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 ALDH1A1 1785/4885GAA 2942/4885KMT2A 2407/4885

“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.