SCHEMBL1154366

SCHEMBL1154366

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
RAB9A P51151 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.30
ATM Q13315 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
SCHEMBL12861011 1.00 FAAH (0.34) FAAHMGLLRAB9ANLRP3ALDH1A1
SCHEMBL1154365 1.00 FAAH (0.34) FAAHMGLLRAB9ANLRP3ALDH1A1
SCHEMBL1154529 0.72 FAAH (0.35) FAAHMGLLRAB9ANLRP3ALDH1A1
SCHEMBL1155194 0.72 FAAH (0.35) FAAHMGLLRAB9ANLRP3ALDH1A1
SCHEMBL1154728 0.66 GPR119 (0.34) FAAHMGLLNLRP3
SCHEMBL1154699 0.64 GAA (0.34) ALDH1A1MAPTHTTSMN1; SMN2EGLN3
SCHEMBL1155093 0.64 GAA (0.34) ALDH1A1MAPTHTTSMN1; SMN2EGLN3
SCHEMBL1154701 0.64 GAA (0.34) ALDH1A1MAPTHTTSMN1; SMN2EGLN3
SCHEMBL3898117 0.64 DRD2 (0.46)
Trifluoroacetic Acid SCHEMBL3895341 0.62 EGLN3 (0.37) HSP90AA1EGLN3

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 FAAH 3626/4885MGLL 1181/4885RAB9A 2741/4885

“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.