SCHEMBL4096594

SCHEMBL4096594

CC(C)c1nc(N2CCC(O[C@H](C)C(=O)O)CC2)no1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
GPR119 Q8TDV5 7/20 0.35
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACACB O00763 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4096599 1.00 KCNQ3 (0.36) KCNQ3KCNQ2GPR119KDM4EUSP2
SCHEMBL4113956 0.78 GPR119 (0.61) GPR119CYP2C19
SCHEMBL4113959 0.78 GPR119 (0.61) GPR119CYP2C19
SCHEMBL356075 0.77 GPR119 (0.55) GPR119KCNH2
SCHEMBL13194797 0.76 GPR119 (0.38) KCNQ3KCNQ2GPR119KCNH2
SCHEMBL354301 0.74 GPR119 (0.39) KCNQ3KCNQ2GPR119KCNH2
SCHEMBL460939 0.73 MAPK8 (0.42) GPR119KCNH2
SCHEMBL4106232 0.69 GPR119 (0.52) GPR119
SCHEMBL150107 0.69 CYP11B2 (0.42) GPR119KCNH2
SCHEMBL2430251 0.69 GPR119 (0.36) GPR119KDM4EKCNH2

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
EP-2013201-B1 HETEROCYCLIC GPCR AGONISTS PROSIDION LTD (GB) 2012-07-25 EP disclosed
US-20090221639-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221639-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221639-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2009-09-03 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-20090221639-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GLP1R KCNQ3 1056/4885KCNQ2 945/4885GPR119 1/4885

“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.