SCHEMBL1154529

SCHEMBL1154529

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
NLRP3 Q96P20 1/20 0.34
JAK1 P23458 3/20 0.33
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1155194 1.00 FAAH (0.35) FAAHMGLLNLRP3JAK1ALDH1A1
SCHEMBL1154528 0.77 NLRP3 (0.36) FAAHMGLLNLRP3JAK1ALDH1A1
SCHEMBL1155192 0.77 NLRP3 (0.36) FAAHMGLLNLRP3JAK1ALDH1A1
SCHEMBL8015388 0.75 DPP4 (0.34) ALDH1A1POLB
SCHEMBL13840144 0.75 DPP4 (0.34) ALDH1A1POLB
SCHEMBL3898117 0.74 DRD2 (0.46) JAK1JAK2
SCHEMBL12861011 0.72 FAAH (0.34) FAAHMGLLNLRP3ALDH1A1RAB9A
SCHEMBL1154365 0.72 FAAH (0.34) FAAHMGLLNLRP3ALDH1A1RAB9A
SCHEMBL1154366 0.72 FAAH (0.34) FAAHMGLLNLRP3ALDH1A1RAB9A
SCHEMBL3897287 0.72 DPP4 (0.60)

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 6 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-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-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
US-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-03-27 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 FAAH 3626/4885MGLL 1181/4885NLRP3 2248/4885

“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.