SCHEMBL894936

SCHEMBL894936

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ELANE P08246 1/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
AAK1 Q2M2I8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
CTSL P07711 1/20 0.33
BTK Q06187 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL10026719 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3ELANECA12
SCHEMBL895624 0.89 CHRM2 (0.39) CHRM2CHRM1CHRM3ELANEAAK1
SCHEMBL10026720 0.89 CHRM2 (0.39) CHRM2CHRM1CHRM3ELANEAAK1
SCHEMBL8079018 0.86 CHRM1 (0.54) CHRM2CHRM1CHRM3ELANECA12
SCHEMBL11965227 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3ELANEAAK1
SCHEMBL3806247 0.81 BTK (0.39) CHRM2CHRM1CHRM3ELANECA12
SCHEMBL11982496 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3ELANEAAK1
SCHEMBL7849129 0.81 CYP2D6 (0.38) CHRM2CHRM1CHRM3ELANEL3MBTL1
SCHEMBL10060683 0.81 CYP2D6 (0.38) CHRM2CHRM1CHRM3ELANEL3MBTL1
SCHEMBL21201991 0.80 AAK1 (0.47) CA12CA14AAK1KMT2ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011018796-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2011-02-17 WO claimed
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-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2012-08-09 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
WO-2011018796-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2011-02-17 WO disclosed
WO-2011018796-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2011-02-17 WO disclosed
WO-2010146597-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) 2010-12-23 WO 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 (2 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-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS DPP4, DPP8, DPP7 CHRM2 4667/4885CHRM1 4514/4885CHRM3 3998/4885
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 CHRM2 1729/4885CHRM1 2396/4885CHRM3 2324/4885

“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.