SCHEMBL4523547

SCHEMBL4523547

CC(C)(C)OC(=O)N1CCC(CNCc2nc(-c3ccncc3)no2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.70
USP30 Q70CQ3 1/20 0.50
HDAC4 P56524 4/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
HDAC6 Q9UBN7 3/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 3/20 0.44
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 2/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL390268 0.88 GPR119 (0.75) GPR119USP30HDAC4KDM4EPKM
SCHEMBL386914 0.88 GPR119 (0.72) GPR119USP30HDAC4HDAC6TSHR
SCHEMBL390317 0.87 GPR119 (0.74) GPR119USP30HDAC4KDM4EPKM
SCHEMBL4421911 0.87 GPR119 (0.54) GPR119HDAC4KDM4EPKM
SCHEMBL10107355 0.86 GPR119 (0.52) GPR119HDAC4HDAC6TSHRRECQL
SCHEMBL391143 0.85 GPR119 (0.76) GPR119USP30HDAC4KDM4EPKM
SCHEMBL389185 0.83 GPR119 (0.68) GPR119USP30HDAC4HDAC6MAPT
SCHEMBL12603064 0.83 GPR119 (0.82) GPR119USP30HDAC4HDAC6TSHR
SCHEMBL304401 0.83 GPR119 (1.00) GPR119USP30HDAC4HDAC6TSHR
SCHEMBL387064 0.83 GPR119 (0.73) GPR119USP30HDAC4HDAC6TSHR

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-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US claimed
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R GPR119 1/4885USP30 4323/4885HDAC4 1980/4885

“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.