SCHEMBL387541

SCHEMBL387541

CC(C)c1nsc(N2CCC(CO)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
TYMP P19971 1/20 0.33
PIN1 Q13526 1/20 0.32
PDE10A Q9Y233 3/20 0.32
GLS O94925 1/20 0.31
MAP2K7 O14733 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL14918536 0.80 DPP4 (0.44) DPP4GPR119HRH4HRH3
Hydrochloric Acid SCHEMBL14918065 0.79 DPP4 (0.43) DPP4GPR119HRH4HRH3
SCHEMBL23083016 0.76 DPP4 (0.50) DPP4CHRM3PDE4APDE4BPDE4C
SCHEMBL387980 0.72 CHRNB2 (0.45) DPP4GPR119
SCHEMBL14918137 0.72 DPP4 (0.41) DPP4HRH4
SCHEMBL14918640 0.71 DPP4 (0.42) DPP4HRH4GLS
SCHEMBL387876 0.71 GPR119 (0.71) MAPK8MAPK10GPR119
SCHEMBL14917742 0.70 DPP4 (0.42) DPP4HRH3
SCHEMBL16011093 0.70 DPP4 (0.39) DPP4HRH3
SCHEMBL14918167 0.70 DPP4 (0.39) DPP4HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC DPP4 25/4885MAPK8 1710/4885MAPK10 2532/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC DPP4 25/4885MAPK8 1710/4885MAPK10 2532/4885

“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.