SCHEMBL4334558

SCHEMBL4334558

Cn1c(CN2CCN(c3ccc(F)c(Cl)c3)CC2)c(Cl)c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HTR7 P34969 1/20 0.46
HTR1A P08908 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DRD4 P21917 1/20 0.41
SMO Q99835 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 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
SCHEMBL4332839 0.89 HTR1A (0.55) ALDH1A1HTR7HTR1AKDM4ESIGMAR1
SCHEMBL4332386 0.88 SMO (0.54) ALDH1A1HTR1ASMN1; SMN2KDM4EDRD4
SCHEMBL4325798 0.88 DRD4 (0.56) ALDH1A1HTR7HTR1ASMN1; SMN2KDM4E
SCHEMBL4320070 0.88 ALDH1A1 (0.56) ALDH1A1HTR7SMN1; SMN2KDM4ESIGMAR1
SCHEMBL4327923 0.86 ALDH1A1 (0.52) ALDH1A1HTR7HTR1ASMN1; SMN2KDM4E
SCHEMBL4318788 0.85 SMN1; SMN2 (0.53) ALDH1A1HTR7HTR1ASMN1; SMN2KDM4E
SCHEMBL4319476 0.85 ALDH1A1 (0.55) ALDH1A1HTR7HTR1ASMN1; SMN2KDM4E
SCHEMBL8260671 0.84 ALDH1A1 (0.50) ALDH1A1HTR7HTR1ASMN1; SMN2KDM4E
SCHEMBL4325976 0.84 ALDH1A1 (0.50) ALDH1A1HTR7SMN1; SMN2KDM4EDRD4
SCHEMBL4319837 0.84 DRD2 (0.59) ALDH1A1HTR1ASMN1; SMN2KDM4EDRD4

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 1785/4885HTR7 97/4885HTR1A 38/4885

“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.