SCHEMBL895743

SCHEMBL895743

C#C[C@H]1CC[C@@H](C(N)=O)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
DPP4 P27487 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
SCHEMBL7856061 0.87 DPP4 (0.41) ELANECHRM2CHRM1CHRM3DPP4
SCHEMBL895307 0.87 DPP4 (0.41) ELANECHRM2CHRM1CHRM3DPP4
SCHEMBL7859357 0.85 ELANE (0.34) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL647255 0.84 DPP4 (0.41) AAK1DPP4
SCHEMBL7848569 0.84 CHRM2 (0.30) CHRM2CHRM1CHRM3DPP4
SCHEMBL648669 0.83 DPP4 (0.42) AAK1DPP4
SCHEMBL895334 0.83 ELANE (0.36) ELANEAAK1CHRM2CHRM1CHRM3
SCHEMBL3742876 0.82 ELOVL6 (0.39) AAK1DPP4
SCHEMBL8083242 0.79 MGLL (0.34) AAK1
SCHEMBL3738692 0.79 MGLL (0.34) AAK1

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 1201/4885AAK1 1535/4885CHRM2 1729/4885

“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.