SCHEMBL4318192

SCHEMBL4318192

Cn1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
CHRM4 P08173 3/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4322710 0.88 ALDH1A1 (0.52) GRM2DRD2DRD4DRD3MEN1
SCHEMBL4331319 0.86 DRD4 (0.52) GRM2DRD4KMT2AALDH1A1SMN1; SMN2
SCHEMBL4339034 0.82 HSD11B1 (0.61) ALDH1A1
SCHEMBL8258604 0.80 MEN1 (0.54) GRM2DRD2DRD4DRD3MEN1
SCHEMBL4320070 0.80 ALDH1A1 (0.56) DRD2DRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4334471 0.79 ALDH1A1 (0.50) GRM2DRD2DRD4DRD3ALDH1A1
SCHEMBL2675769 0.78 MEN1 (0.52) GRM2DRD2DRD4DRD3MEN1
SCHEMBL4341011 0.78 SMN1; SMN2 (0.49) DRD2DRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4330719 0.77 ALDH1A1 (0.44) GRM2DRD2DRD4DRD3ALDH1A1
SCHEMBL4332839 0.77 HTR1A (0.55) ALDH1A1KDM4E

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 5 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

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 GRM2 6/4885DRD2 121/4885DRD4 241/4885

“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.