SCHEMBL3097223

SCHEMBL3097223

CN(C(=O)OC(C)(C)C)[C@@H](CC1CCCOC1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
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
MMP13 P45452 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSD P07339 1/20 0.31
ASGR1 P07306 1/20 0.30
CTSH P09668 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
SCHEMBL13908260 1.00 CTSS (0.32) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL13908244 1.00 CTSS (0.32) CTSSCTSKPSEN1PSEN2APH1B
SCHEMBL8065598 0.89 PSEN1 (0.39) CTSSPSEN1PSEN2APH1BNCSTN
SCHEMBL9914216 0.89 PSEN1 (0.39) CTSSPSEN1PSEN2APH1BNCSTN
SCHEMBL25179484 0.86 CTSK (0.39) CTSSCTSKMMP13CTSLCTSB
SCHEMBL30639521 0.86 CTSK (0.41) CTSSCTSKMMP13CTSLCTSB
SCHEMBL19066777 0.86 CTSK (0.39) CTSSCTSKMMP13CTSLCTSB
SCHEMBL25185691 0.86 CTSK (0.41) CTSSCTSKMMP13CTSLCTSB
SCHEMBL1568409 0.85 CTSS (0.38) CTSSCTSKMMP13CTSLCTSB
SCHEMBL66693 0.84 CTSK (0.43) CTSSCTSKMMP13CTSLCTSB

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 15 patents. 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-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-8242290-B2 Process for the preparation of renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242290-B2 Process for the preparation of renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242290-B2 Process for the preparation of renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8198453-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-06-12 US disclosed
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100256400-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256400-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256400-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-10-07 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-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
WO-2009038719-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP CTSS 76/4885CTSK 94/4885PSEN1 238/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP CTSS 56/4885CTSK 71/4885PSEN1 416/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 CTSS 54/4885CTSK 61/4885PSEN1 752/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP CTSS 80/4885CTSK 104/4885PSEN1 261/4885
US-20100256400-A1 PROCESS FOR THE PREPARATION OF RENIN INHIBITORS REN, AGTR1, ACE CTSS 167/4885CTSK 380/4885PSEN1 1061/4885

“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.