SCHEMBL895334

SCHEMBL895334

CN(C)C(=O)N1C2CCC1CC([C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(N)=O)C[C@@H]3C[C@@H]31)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
DPP4 P27487 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
BIRC2 Q13490 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL7859357 0.88 ELANE (0.34) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL896532 0.85 DPP4 (0.49) DPP4
SCHEMBL895743 0.83 ELANE (0.32) ELANEDPP4AAK1CHRM2CHRM1
SCHEMBL10026720 0.81 CHRM2 (0.39) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL895624 0.81 CHRM2 (0.39) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL894936 0.80 CHRM2 (0.38) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL10026719 0.80 CHRM2 (0.38) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL3738734 0.79 BCL2 (0.38) AAK1
SCHEMBL3755810 0.79 PREP (0.34) ELANEAAK1PRSS1PRSS2PRSS3
SCHEMBL11965227 0.77 CHRM2 (0.41) ELANEAAK1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748457-B2 2-amino-2- [8-(dimethyl carbamoyl)- 8-aza- bicyclo [3.2.1] oct-3-yl]-exo- ethanoyl derivatives as potent DPP-IV inhibitors LUPIN LIMITED (IN) 2014-06-10 US disclosed
US-8748457-B2 2-amino-2- [8-(dimethyl carbamoyl)- 8-aza- bicyclo [3.2.1] oct-3-yl]-exo- ethanoyl derivatives as potent DPP-IV inhibitors LUPIN LIMITED (IN) 2014-06-10 US disclosed
US-8748457-B2 2-amino-2- [8-(dimethyl carbamoyl)- 8-aza- bicyclo [3.2.1] oct-3-yl]-exo- ethanoyl derivatives as potent DPP-IV inhibitors LUPIN LIMITED (IN) 2014-06-10 US disclosed
US-20120082635-A1 2-AMINO-2- [8-(DIMETHYL CARBAMOYL)- 8-AZA- BICYCLO [3.2.1] OCT-3-YL]-EXO- ETHANOYL DERIVATIVES AS POTENT DPP-IV INHIBITORS LUPIN LIMITED (IN) 2012-04-05 US disclosed
US-20120082635-A1 2-AMINO-2- [8-(DIMETHYL CARBAMOYL)- 8-AZA- BICYCLO [3.2.1] OCT-3-YL]-EXO- ETHANOYL DERIVATIVES AS POTENT DPP-IV INHIBITORS LUPIN LIMITED (IN) 2012-04-05 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-20120082635-A1 2-AMINO-2- [8-(DIMETHYL CARBAMOYL)- 8-AZA- BICYCLO [3.2.1] OCT-3-YL]-EXO- ETHANOYL DERIVATIVES AS POTENT DPP-IV INHIBITORS DPP7, DPP4, DPP8 ELANE 1201/4885DPP4 2/4885AAK1 1535/4885

“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.