SCHEMBL3137229

SCHEMBL3137229

CC(C)(C)OC(=O)N1CCn2c(nnc2C(F)(F)F)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
MAPT P10636 1/20 0.34
CYP8B1 Q9UNU6 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
DPP4 P27487 2/20 0.32
CYP2D6 P10635 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC4 P56524 1/20 0.31
NR1H2 P55055 1/20 0.31
BUB1 O43683 1/20 0.31
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16027634 0.81 USP2 (0.33) P2RX7MAPTGPR119SCN5ASCN9A
SCHEMBL3132464 0.80 DPP4 (0.36) P2RX7DPP4CYP2D6DPP8DPP9
SCHEMBL3133058 0.73 HDAC4 (0.35) MAPTGPR119DPP4DPP8SCN5A
SCHEMBL3134930 0.72 CYP8B1 (0.54) P2RX7CYP8B1DPP4DPP8DPP9
SCHEMBL5935850 0.70 DPP4 (0.48) P2RX7DPP4DPP8
SCHEMBL5935858 0.70 DPP4 (0.50) MAPTCYP8B1GPR119DPP4DPP8
SCHEMBL7378278 0.68 USP2 (0.46) MAPTGPR119SCN5ASCN9ACTSK
SCHEMBL4621580 0.67 USP2 (0.40) MAPTGPR119CTSKUSP2SMN1; SMN2
SCHEMBL26627533 0.67 ESR2 (0.37) MAPTGPR119CTSKUSP2SMN1; SMN2
SCHEMBL3432319 0.66 USP2 (0.41) MAPTGPR119CTSKUSP2SMN1; 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 3 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

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 P2RX7 2345/4885MAPT 3004/4885CYP8B1 866/4885

“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.