SCHEMBL3741676

SCHEMBL3741676

CC(C)(C)OC(=O)N1C2CCC1CC([C@@](N)(C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C#N)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DPP4 P27487 13/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
PREP P48147 1/20 0.39

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
SCHEMBL3747990 0.83 CHRM2 (0.45) CHRM2CHRM1CHRM3PREP
SCHEMBL3743904 0.83 DPP4 (0.36) DPP4DPP8DPP9
SCHEMBL3746303 0.76 CHRM2 (0.57) CHRM2CHRM1CHRM3PREP
SCHEMBL240005 0.74 DPP4 (0.56) DPP4DPP8DPP9PREP
SCHEMBL1357066 0.74 DPP4 (0.56) DPP4DPP8DPP9PREP
SCHEMBL2896482 0.74 DPP4 (0.56) DPP4DPP8DPP9PREP
SCHEMBL3741673 0.73 DPP4 (0.49) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL82202 0.71 DPP4 (0.51) DPP4DPP8DPP9PREP
SCHEMBL19055875 0.71 DPP4 (0.51) DPP4DPP8DPP9PREP
SCHEMBL3966030 0.71 DPP4 (0.51) DPP4DPP8DPP9PREP

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 CHRM2 4174/4885CHRM1 4371/4885CHRM3 4029/4885

“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.