SCHEMBL4328496

SCHEMBL4328496

CC(c1c(Cl)c(=O)n(-c2ccc(OC(F)(F)F)cc2)n1C)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
OPRM1 P35372 1/20 0.39
TP53 P04637 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 2/20 0.37
ABL1 P00519 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV4 Q9HBA0 2/20 0.37

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
SCHEMBL8257268 0.86 TP53 (0.38) TP53MAPTALDH1A1NPBWR1MCHR1
SCHEMBL4332432 0.85 CYP2C9 (0.39) MAPTNPBWR1MCHR1LMNATRPV4
SCHEMBL4319168 0.81 GAA (0.41) GAAALDH1A1
SCHEMBL4339066 0.77 OPRM1 (0.38) OPRM1NPBWR1MCHR1
SCHEMBL4338367 0.76 OPRM1 (0.36) OPRM1NPBWR1MCHR1
SCHEMBL4323067 0.76 MCHR1 (0.35) OPRM1KCNH2MAPTDRD2NPBWR1
SCHEMBL4318722 0.76 CHRM4 (0.40) OPRM1DRD2DRD3
SCHEMBL4324395 0.76 KDM4E (0.38) OPRM1ALDH1A1NPBWR1MCHR1KMT2A
SCHEMBL4331155 0.75 ALDH1A1 (0.41) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL4332496 0.75 NPBWR1 (0.47) MAPTALDH1A1NPBWR1MCHR1KMT2A

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 1 patent. 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

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 GAA 2942/4885OPRM1 264/4885TP53 4617/4885

“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.