SCHEMBL4331843

SCHEMBL4331843

Cc1cc(=O)n(C2CCCC2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.36
NR1I2 O75469 1/20 0.35
KDM4B O94953 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
DOHH Q9BU89 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 3/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL4318546 0.98 ALDH1A1 (0.41) NAPRTALDH1A1POLBMEN1MAPT
SCHEMBL4322764 0.77 TSHR (0.38) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL4332440 0.73 TSHR (0.35) ALDH1A1MAPTKMT2AMAPK1TSHR
SCHEMBL11840108 0.71 JAK2 (0.47) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL4752960 0.70 NAPRT (0.53) NAPRTALDH1A1MEN1MAPTKMT2A
SCHEMBL783095 0.68
SCHEMBL4763682 0.67 ALDH1A1 (0.49) ALDH1A1POLBMEN1MAPTKMT2A
Water SCHEMBL10620440 0.66 NAPRT (0.48) NAPRTALDH1A1POLBMEN1MAPT
SCHEMBL11724195 0.66 ALDH1A1 (0.44) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL17264594 0.65 SMURF1 (0.39) MAPK1PARP1PARP2PARP3

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 NAPRT 2063/4885ALDH1A1 1785/4885POLB 4059/4885

“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.