SCHEMBL896326

SCHEMBL896326

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL7848569 0.76 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL3747990 0.70 CHRM2 (0.45) CHRM2CHRM1CHRM3
SCHEMBL895307 0.64 DPP4 (0.41) CHRM2CHRM1CHRM3
SCHEMBL7856061 0.64 DPP4 (0.41) CHRM2CHRM1CHRM3
SCHEMBL3746303 0.64 CHRM2 (0.57) CHRM2CHRM1CHRM3
SCHEMBL24491622 0.63 CHRM2 (0.39) CHRM2CHRM1CHRM3
SCHEMBL12084008 0.63 CHRM2 (0.39) CHRM2CHRM1CHRM3
SCHEMBL24491717 0.63 CHRM2 (0.39) CHRM2CHRM1CHRM3
SCHEMBL3741676 0.63 CHRM2 (0.43) CHRM2CHRM1CHRM3
SCHEMBL7859357 0.61 ELANE (0.34) CHRM2CHRM1CHRM3

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-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

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 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.