SCHEMBL1260976

SCHEMBL1260976

CC(C)(C)OC(=O)N1CCc2c(nc(-c3ccoc3)nc2C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.46
GPR119 Q8TDV5 2/20 0.45
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
HDAC4 P56524 1/20 0.40
PDE10A Q9Y233 1/20 0.39
DPP4 P27487 4/20 0.38
MAPT P10636 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.38
ESR2 Q92731 1/20 0.38
PRKCI P41743 1/20 0.37
GRAMD1A Q96CP6 1/20 0.37

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
SCHEMBL4274904 0.87 DPP4 (0.42) DPP4
SCHEMBL1261353 0.86 MTOR (0.49) MTORRAF1BRAFPARP1TNKS2
SCHEMBL1261938 0.85 PDE10A (0.51) MTORGPR119RAF1BRAFPARP1
SCHEMBL1262953 0.85 MTOR (0.50) MTORRAF1BRAFPARP1TNKS2
SCHEMBL4391067 0.84 MTOR (0.49) MTORRAF1BRAFPARP1TNKS2
SCHEMBL1262536 0.83 MTOR (0.46) MTORGPR119RAF1BRAFPARP1
SCHEMBL1262006 0.83 DPP4 (0.53) MTORGPR119RAF1BRAFPARP1
SCHEMBL1262544 0.83 GPR119 (0.45) MTORGPR119RAF1BRAFPARP1
SCHEMBL1262024 0.82 RAF1 (0.46) MTORRAF1BRAFPARP1TNKS2
SCHEMBL1261149 0.82 GBA1 (0.51) MTORGPR119RAF1BRAFPARP1

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 MTOR 4255/4885GPR119 146/4885RAF1 4632/4885

“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.