SCHEMBL1866972

SCHEMBL1866972

CN(C[C@H]([C@@H](O)C1CCCCC1)N(C(=O)O)C(C)(C)C)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL1863059 1.00 L3MBTL1 (0.31) L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL3595043 0.82 SLC6A2 (0.34) L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL3595787 0.82 SLC6A2 (0.34) L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL1859646 0.79 SLC6A2 (0.34) L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL1863285 0.79 SLC6A2 (0.34) L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL1860870 0.78 CHRNB2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL972233 0.77
SCHEMBL972229 0.77
SCHEMBL1865578 0.76 EPHX1 (0.36) L3MBTL1
SCHEMBL1862456 0.74 EPHX1 (0.34) L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE L3MBTL1 3595/4885SLC6A2 3389/4885SLC6A4 3809/4885

“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.