SCHEMBL499013

SCHEMBL499013

CN(C(=O)OC(C)(C)C)[C@H](CN)C[C@H]1CCCOC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 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
SCHEMBL8077145 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3111079 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12581002 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079730 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7998425 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8075713 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8004071 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3263902 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL498986 0.96 CTSS (0.31) CTSLCTSBCTSS
SCHEMBL19400989 0.86 CTSK (0.38) CTSLCTSBCTSS

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-8198453-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-06-12 US disclosed
US-8198453-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-06-12 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100311989-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
WO-2009154766-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF VITAE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
WO-2009038715-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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 (6 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 PSEN1 166/4885PSEN2 204/4885APH1B 298/4885
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP PSEN1 238/4885PSEN2 475/4885APH1B 978/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP PSEN1 416/4885PSEN2 478/4885APH1B 919/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 PSEN1 752/4885PSEN2 1182/4885APH1B 616/4885
US-20100311989-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS REN, ACE, AGTR1 PSEN1 1038/4885PSEN2 1849/4885APH1B 3583/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP PSEN1 261/4885PSEN2 474/4885APH1B 812/4885

“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.