SCHEMBL1261149

SCHEMBL1261149

CC(C)(C)OC(=O)N1CCc2c(nc(-c3cccnc3)nc2C(F)(F)F)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
GPR119 Q8TDV5 2/20 0.47
PDE10A Q9Y233 4/20 0.47
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
MTOR P42345 1/20 0.44
DPP4 P27487 3/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
KIT P10721 1/20 0.43
P2RX7 Q99572 1/20 0.42
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL1261353 0.89 MTOR (0.49) GBA1PDE10APARP1TNKS2PARP2
SCHEMBL1261938 0.88 PDE10A (0.51) GPR119PDE10APARP1TNKS2PARP2
SCHEMBL1262024 0.85 RAF1 (0.46) PDE10APARP1TNKS2PARP2MTOR
SCHEMBL1262953 0.84 MTOR (0.50) PDE10APARP1TNKS2PARP2MTOR
SCHEMBL4391067 0.83 MTOR (0.49) PDE10APARP1TNKS2PARP2MTOR
SCHEMBL1262536 0.82 MTOR (0.46) GPR119PDE10APARP1TNKS2PARP2
SCHEMBL1260976 0.82 MTOR (0.46) GPR119PDE10APARP1TNKS2PARP2
SCHEMBL1262544 0.82 GPR119 (0.45) GPR119PDE10APARP1TNKS2PARP2
SCHEMBL416075 0.81 PDE10A (0.52) GBA1GPR119PDE10AMAPT
SCHEMBL1262006 0.80 DPP4 (0.53) GPR119PARP1TNKS2PARP2MTOR

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-7879848-B2 good inhibition activity versus Dipeptidyl Peptidase-IV (DPP-IV); Diabetes mellitus, obesity; 3-[2S-amino-4-oxo-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-butyl]-oxazolidin-2-one; compounds having an optionally substituted lactam ring structure LG LIFE SCIENCES, LTD. (KR) 2011-02-01 US disclosed
EP-1863812-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2010-07-14 EP disclosed
US-20080188471-A1 Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent LG LIFE SCIENCES, LTD. (KR) 2008-08-07 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-20080188471-A1 Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent DPP4, DPP7, DPP8 GBA1 1231/4885GPR119 146/4885PDE10A 516/4885

“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.