SCHEMBL1154728

SCHEMBL1154728

CCOC(=O)CN(C(=O)OC(C)(C)C)[C@@H]1CC[C@H](Cn2cncn2)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL1154762 0.88 GPR119 (0.36) GPR119
SCHEMBL1155163 0.88 GPR119 (0.36) GPR119
SCHEMBL1154985 0.78 CNR2 (0.33)
SCHEMBL1154733 0.77 DPP4 (0.39)
SCHEMBL1155232 0.77 DPP4 (0.39)
SCHEMBL1720428 0.76 NFKB1 (0.41) NFKB1NFKB2RELA
SCHEMBL15370101 0.72 NFKB1 (0.40) NFKB1NFKB2RELA
SCHEMBL14095485 0.71 ALDH1A1 (0.41) NFKB1NFKB2RELA
SCHEMBL1155194 0.71 FAAH (0.35) FAAHMGLLNLRP3
SCHEMBL1154529 0.71 FAAH (0.35) FAAHMGLLNLRP3

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-7893103-B2 Dipeptidyl peptidase IV (DPP-IV); industrial scale process of making antidiabetics such as (2S,4S)-1-{2-[(3SR,1RS)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoro-pyrrolidine-2-carbonitrile starting from ethyl glyoxalate and 3-(1H-1,2,4-triazol-1-ylmethyl)cyclopententylamine for example GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-02-22 US disclosed
US-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-03-27 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-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS DPP4, DPP7, DPP3 GPR119 28/4885NFKB1 3665/4885NFKB2 3870/4885

“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.