SCHEMBL3607116

SCHEMBL3607116

C[Si](C)(C)CCOCNC[C@@H](N)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.32
CTSK P43235 1/20 0.32
CTSD P07339 2/20 0.32
DPP4 P27487 1/20 0.31
REN P00797 1/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL1862471 0.78 CTSK (0.39) METAP2CTSKDPP4REN
SCHEMBL1862474 0.78 CTSK (0.39) METAP2CTSKDPP4REN
SCHEMBL1866568 0.74 REN (0.35) METAP2REN
SCHEMBL1861488 0.72
SCHEMBL1861491 0.72
SCHEMBL13502927 0.72 METAP2 (0.36) METAP2CTSKCTSDDPP4REN
SCHEMBL12920124 0.70 REN (0.44) METAP2CTSKREN
SCHEMBL499254 0.69 CTSK (0.36) METAP2CTSKDPP4
SCHEMBL3607293 0.69 CTSK (0.36) METAP2CTSKDPP4
SCHEMBL499255 0.69 CTSK (0.36) METAP2CTSKDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 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-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE METAP2 44/4885CTSK 31/4885CTSD 128/4885

“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.