SCHEMBL3602389

SCHEMBL3602389

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
KMT2A Q03164 1/20 0.30
METAP2 P50579 2/20 0.30
EPHX1 P07099 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
SCHEMBL3604080 0.99 L3MBTL1 (0.33) L3MBTL1SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL8233820 0.84 HTR2C (0.36) EPHX1
SCHEMBL3595027 0.77 SLC6A2 (0.38) L3MBTL1ALDH1A1KDM4EMETAP2EPHX1
SCHEMBL3603986 0.77 SLC6A2 (0.38) L3MBTL1ALDH1A1KDM4EMETAP2EPHX1
SCHEMBL1870673 0.75 SLC6A2 (0.36) L3MBTL1ALDH1A1KDM4EMETAP2EPHX1
SCHEMBL5318798 0.68 PIK3CD (0.31)
SCHEMBL4436354 0.68 PIK3CD (0.31)
SCHEMBL3338710 0.66 GPR88 (0.41) SLC1A3SLC1A2SLC1A1METAP2
SCHEMBL3338713 0.66 GPR88 (0.41) SLC1A3SLC1A2SLC1A1METAP2
SCHEMBL3607510 0.66 GPR88 (0.41) SLC1A3SLC1A2SLC1A1METAP2

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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 L3MBTL1 3699/4885SLC1A3 395/4885SLC1A2 361/4885

“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.