SCHEMBL7849129

SCHEMBL7849129

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
REN P00797 2/20 0.33
GFER P55789 1/20 0.32
CTSK P43235 3/20 0.32
CTSS P25774 1/20 0.32
CTSL P07711 2/20 0.31
CACNA1B Q00975 2/20 0.31
CTSB P07858 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
SCHEMBL10060683 1.00 CYP2D6 (0.38) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL8081003 0.83 CACNA1B (0.38) CYP2D6CHRM2CHRM1CHRM3KMT2A
SCHEMBL11965227 0.82 CHRM2 (0.41) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL13078813 0.82 CTSK (0.34) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL13078578 0.81 CACNA1B (0.37) CYP2D6L3MBTL1GAAKMT2ACA2
SCHEMBL10026719 0.81 CHRM2 (0.38) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL894936 0.81 CHRM2 (0.38) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL10026720 0.79 CHRM2 (0.39) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL895624 0.79 CHRM2 (0.39) CYP2D6CHRM2CHRM1CHRM3ELANE
SCHEMBL13078576 0.79 DPP4 (0.37) CHRM2CHRM1CHRM3ELANEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 CYP2D6 1041/4885CHRM2 1729/4885CHRM1 2396/4885

“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.