SCHEMBL3133107

SCHEMBL3133107

CC(C)(C)OC(=O)N1CCc2cnc(C(F)(F)F)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ESR2 Q92731 1/20 0.47
MAPK1 P28482 5/20 0.46
NR1H2 P55055 2/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP8B1 Q9UNU6 1/20 0.39
HPGDS O60760 1/20 0.38
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.38
MAP3K5 Q99683 1/20 0.38
HDAC4 P56524 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 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
SCHEMBL4870556 0.91 MAPT (0.63) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL3873146 0.89 DDB1 (0.51) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL31073472 0.84 MAPT (0.55) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL17847947 0.83 MAPT (0.54) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL22803887 0.83 NR1H2 (0.54) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL3134418 0.82 MAPK1 (0.48) MAPK1CDK2
SCHEMBL27233890 0.82 MAPT (0.53) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL23011870 0.81 MAPT (0.52) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL22980530 0.81 MAPT (0.52) MAPTESR2MAPK1NR1H2DDB1
SCHEMBL22993245 0.80 MAPT (0.51) MAPTESR2MAPK1NR1H2DDB1

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 MAPT 3004/4885ESR2 2482/4885MAPK1 4502/4885

“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.