SCHEMBL4526319

SCHEMBL4526319

CC(C)(C)OC(=O)N1CCC(c2noc(/C=C/c3cc[n+]([O-])cc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.41
THRB P10828 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HDAC4 P56524 2/20 0.38
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.36
SCD5 Q86SK9 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36

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
SCHEMBL391290 0.87 GPR119 (0.48) GPR119THRBNAMPTUSP30KDM4E
SCHEMBL391289 0.87 GPR119 (0.48) GPR119THRBNAMPTUSP30KDM4E
SCHEMBL386188 0.82 GPR119 (0.50) GPR119THRBNAMPTUSP30TP53
SCHEMBL386187 0.82 GPR119 (0.50) GPR119THRBNAMPTUSP30TP53
SCHEMBL386049 0.79 GPR119 (0.46) GPR119USP30HTT
SCHEMBL386048 0.79 GPR119 (0.46) GPR119USP30HTT
SCHEMBL2885110 0.74 NAMPT (0.55) GPR119THRBNAMPTKDM4EMAPT
SCHEMBL4905425 0.74 GPR119 (0.47) GPR119KDM4EPTPN2PTPN1PTPN6
SCHEMBL13633439 0.74 GPR119 (0.49) GPR119NAMPTUSP30KDM4E
SCHEMBL13246578 0.73 GPR119 (0.53) GPR119THRBSMN1; SMN2USP30KDM4E

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-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
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R GPR119 1/4885THRB 148/4885GAA 1948/4885

“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.