SCHEMBL1262006

SCHEMBL1262006

CC(C)(C)OC(=O)N1CCc2c(nc(-c3ccco3)nc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
ADORA2A P29274 4/20 0.46
ADORA1 P30542 1/20 0.46
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
MTOR P42345 2/20 0.42
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4265468 0.87 DPP4 (0.57) DPP4ADORA2AMAPTCYP1A2CYP2D6
SCHEMBL1261353 0.84 MTOR (0.49) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1263199 0.83 PARP1 (0.47) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1260976 0.83 MTOR (0.46) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1261938 0.81 PDE10A (0.51) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1262953 0.81 MTOR (0.50) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1261187 0.81 DPP4 (0.53) DPP4ADORA1RAF1BRAFPARP1
SCHEMBL4391067 0.80 MTOR (0.49) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1261149 0.80 GBA1 (0.51) DPP4RAF1BRAFPARP1TNKS2
SCHEMBL1262024 0.80 RAF1 (0.46) DPP4RAF1BRAFPARP1TNKS2

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 DPP4 1/4885ADORA2A 1697/4885ADORA1 795/4885

“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.