SCHEMBL4334981

SCHEMBL4334981

Cc1cccc(N2CCN(Cc3c(Cl)c(=O)n(-c4ccccc4)n3C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4320070 0.84 ALDH1A1 (0.56) SMN1; SMN2DRD4ALDH1A1MAPTKDM4E
SCHEMBL4319476 0.82 ALDH1A1 (0.55) KCNH2KMT2AMEN1SMN1; SMN2DRD4
SCHEMBL4327122 0.82 DRD4 (0.46) KCNH2KMT2AMEN1SMN1; SMN2DRD4
SCHEMBL4332839 0.81 HTR1A (0.55) KCNH2ALDH1A1HTR1AKDM4EGAA
SCHEMBL4325976 0.81 ALDH1A1 (0.50) SMN1; SMN2DRD4ALDH1A1MAPTKDM4E
SCHEMBL4332484 0.81 SMN1; SMN2 (0.56) SMN1; SMN2DRD4ALDH1A1HTR1ADRD3
SCHEMBL4318261 0.81 SMN1; SMN2 (0.62) SMN1; SMN2DRD4ALDH1A1HTR1ADRD3
SCHEMBL4329530 0.81 ALDH1A1 (0.51) KCNH2KMT2AMEN1SMN1; SMN2DRD4
SCHEMBL4340969 0.81 DRD2 (0.60) SMN1; SMN2DRD4ALDH1A1HTR1AHTR2A
SCHEMBL4325798 0.80 DRD4 (0.56) KMT2ASMN1; SMN2DRD4ALDH1A1HTR1A

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 KCNH2 610/4885KMT2A 2407/4885MEN1 3300/4885

“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.