SCHEMBL1154699

SCHEMBL1154699

NC1CCC(Cn2cncn2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
CYP19A1 P11511 1/20 0.33
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
FDPS P14324 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL1154701 1.00 GAA (0.34) GAAHSD17B10EGLN3CYP19A1CPB1
SCHEMBL1155093 1.00 GAA (0.34) GAAHSD17B10EGLN3CYP19A1CPB1
Trifluoroacetic Acid SCHEMBL3897924 0.86 EGLN3 (0.37) GAAHSD17B10EGLN3CPB1CPB2
Trifluoroacetic Acid SCHEMBL3911719 0.86 EGLN3 (0.37) GAAHSD17B10EGLN3CPB1CPB2
Trifluoroacetic Acid SCHEMBL3900122 0.86 EGLN3 (0.37) GAAHSD17B10EGLN3CPB1CPB2
Trifluoroacetic Acid SCHEMBL3895341 0.86 EGLN3 (0.37) GAAHSD17B10EGLN3CPB1CPB2
SCHEMBL399924 0.83
SCHEMBL8655557 0.76 CYP2B6 (0.44) GAAHSD17B10EGLN3CYP19A1FDPS
SCHEMBL15785125 0.71 GAA (0.35) GAAHSD17B10EGLN3CYP19A1FDPS
SCHEMBL12860991 0.70

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 7 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
WO-2008001195-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-03 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-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS DPP4, DPP7, DPP3 GAA 513/4885HSD17B10 255/4885EGLN3 1852/4885

“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.