SCHEMBL3336032

SCHEMBL3336032

CN(C[C@H](N)C[C@H]1CCCCOC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.33
GPR88 Q9GZN0 1/20 0.32
ALOX5 P09917 2/20 0.31
DPP4 P27487 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ENPEP Q07075 2/20 0.31
DPEP1 P16444 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL3336027 1.00 ANPEP (0.33) ANPEPGPR88ALOX5DPP4MMP1
SCHEMBL3642072 1.00 ANPEP (0.33) ANPEPGPR88ALOX5DPP4MMP1
SCHEMBL2364185 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL2364187 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL3616374 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL2364260 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL2364257 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL3616372 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL3616377 0.96 ANPEP (0.34) ANPEPGPR88ENPEP
SCHEMBL3600814 0.90 ANPEP (0.33) ANPEPENPEP

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 6 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-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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 (3 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 7/4885GPR88 4464/4885ALOX5 1697/4885
US-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP ANPEP 13/4885GPR88 2539/4885ALOX5 1258/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP ANPEP 20/4885GPR88 2963/4885ALOX5 3057/4885

“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.