SCHEMBL14970394

SCHEMBL14970394

CC(=O)N1Cc2cn(CC(C)(C)O)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
DPP4 P27487 2/20 0.39
PDK2 Q15119 2/20 0.36
HTT P42858 2/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
JAK1 P23458 2/20 0.32
AURKA O14965 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KMT2A Q03164 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
SCHEMBL17202438 0.89 DPP4 (0.39) DPP4PDK2HTTHDAC1HDAC2
SCHEMBL16219025 0.85 DPP4 (0.37) DPP4PDK2HTTHDAC1HDAC2
SCHEMBL9918101 0.84 HDAC1 (0.40) DPP4HTTHDAC1ALDH1A1NAMPT
SCHEMBL15161223 0.80 DPP4 (0.42) DPP4HTTGAA
SCHEMBL13562714 0.78 DPP4 (0.41) DPP4PDK2
SCHEMBL13563221 0.77 DPP4 (0.40) DPP4TSHR
SCHEMBL15152954 0.76 DPP4 (0.39) DPP4PDK2HTTHDAC1HDAC2
SCHEMBL19498039 0.76 PDK2 (0.54) NOTUMPDK2ACACBACACANAMPT
SCHEMBL26542931 0.73 NOTUM (0.48) NOTUMPDK2HDAC1HDAC2ALDH1A1
SCHEMBL12451984 0.72 HDAC1 (0.39) DPP4PDK2HTTHDAC1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR NOTUM 3650/4885DPP4 620/4885PDK2 1496/4885

“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.