SCHEMBL4331547

SCHEMBL4331547

CCOc1ccc(N2CCN(Cc3c(Cl)c(=O)n(-c4ccccc4)n3CC)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CHRNA7 P36544 1/20 0.41
DRD4 P21917 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL4322932 0.89 POLB (0.51) POLBALDH1A1MAPTHTTTSHR
SCHEMBL4327075 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHTTTSHRKDM4E
SCHEMBL4333350 0.86 SMO (0.52) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL4332112 0.85 DRD2 (0.58) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL4328990 0.84 HTR1A (0.47) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL4331073 0.84 ALDH1A1 (0.49) ALDH1A1HTTKDM4ECHRNA7DRD4
SCHEMBL4338271 0.82 HTR1A (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2DRD4
SCHEMBL4338375 0.82 ALDH1A1 (0.44) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL4319530 0.80 SMN1; SMN2 (0.52) ALDH1A1HTTKDM4ELMNASMN1; SMN2
SCHEMBL4324444 0.80 DRD2 (0.57) ALDH1A1KDM4ESMN1; SMN2DRD4

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 POLB 4059/4885ALDH1A1 1785/4885MAPT 731/4885

“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.