SCHEMBL4318682

SCHEMBL4318682

CC(c1c(Cl)c(=O)n(-c2ccc(F)cc2)n1C)N1CCC(CCCc2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.41
TP53 P04637 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GFER P55789 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
NOX4 Q9NPH5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4324405 0.90 SCN5A (0.37) TP53LMNA
SCHEMBL4329959 0.86 CYP2D6 (0.39) CCR3HTR1ADRD2HTR2ACYP2D6
SCHEMBL4333004 0.84 CCR3 (0.41) CCR3HTR1AHTR2AHTR7GFER
SCHEMBL4329528 0.80 CCR5 (0.40) CYP2D6HRH3
SCHEMBL8260395 0.80 HTR1A (0.36) HTR1ADRD2HTR2AHRH3
SCHEMBL4325423 0.79 LIPE (0.39) ALDH1A1CYP2D6
SCHEMBL8254873 0.78 DRD2 (0.41) HTR1ADRD2HTR2AHTR7ALDH1A1
SCHEMBL4318722 0.77 CHRM4 (0.40) DRD2
SCHEMBL4334455 0.76 KDM4E (0.39) CCR3ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL4327176 0.76 HRH3 (0.34) HTR1ADRD2HTR2AHRH3

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 4 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
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 CCR3 3456/4885TP53 4617/4885HTR1A 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.