SCHEMBL3605283

SCHEMBL3605283

CN(C[C@@H](N)CC1CCCOCC1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.34
ENPEP Q07075 2/20 0.34
PIK3CD O00329 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CTSD P07339 1/20 0.33
DPP4 P27487 2/20 0.32
TACR2 P21452 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL3605285 1.00 ANPEP (0.34) ANPEPENPEPPIK3CDMMP1MMP2
SCHEMBL3605279 1.00 ANPEP (0.34) ANPEPENPEPPIK3CDMMP1MMP2
SCHEMBL2364187 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL2364257 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL3616372 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL3616377 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL2364260 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL2364185 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL3616374 0.89 ANPEP (0.34) ANPEPENPEPGPR88
SCHEMBL3588546 0.87 ANPEP (0.40) ANPEPENPEPGPR88DPP4CTSL

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 ANPEP 7/4885ENPEP 9/4885PIK3CD 2743/4885

“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.