SCHEMBL3133282

SCHEMBL3133282

CC(C)(C)OC(=O)N1CCn2nc(C(F)(F)F)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP7 Q9UHL4 1/20 0.46
MYT1 Q01538 2/20 0.44
NOTUM Q6P988 1/20 0.43
HDAC4 P56524 1/20 0.40
MAPT P10636 3/20 0.39
PARP1 P09874 1/20 0.38
NR1H2 P55055 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
ESR2 Q92731 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL14970436 0.82 DPP4 (0.50) DPP4DPP8DPP7MYT1NOTUM
SCHEMBL22074852 0.81 NR1H2 (0.40) MAPTNR1H2ESR2USP2SMN1; SMN2
SCHEMBL15933479 0.81 NR1H2 (0.40) MAPTNR1H2ESR2USP2SMN1; SMN2
SCHEMBL3131535 0.80 DPP4 (0.51) DPP4DPP8DPP7MYT1NOTUM
SCHEMBL19722716 0.79 DPP4 (0.50) DPP4DPP8DPP7MYT1NOTUM
SCHEMBL26089974 0.79 MAPK1 (0.39) MAPTNR1H2GPR119ESR2USP2
SCHEMBL9944486 0.79 DPP4 (0.53) DPP4DPP8DPP7MYT1NOTUM
SCHEMBL2654149 0.79 NR1H2 (0.38) MAPTNR1H2ESR2USP2SMN1; SMN2
SCHEMBL31612680 0.79 HDAC4 (0.48) DPP4DPP8DPP7HDAC4MAPT
SCHEMBL31612664 0.79 MAPT (0.40) HDAC4MAPTNR1H2GPR119SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 US disclosed
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.