SCHEMBL8004729

SCHEMBL8004729

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSD P07339 1/20 0.36
CTSH P09668 1/20 0.36
CTSK P43235 6/20 0.35
F11 P03951 1/20 0.30
KLKB1 P03952 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
SCHEMBL2028799 1.00 CTSS (0.36) CTSSCTSLCTSBCTSDCTSH
SCHEMBL10069060 0.85 CTSS (0.44) CTSSCTSLCTSBCTSDCTSH
SCHEMBL2024647 0.83 CTSL (0.34) CTSSCTSLCTSBCTSHCTSK
SCHEMBL3343422 0.83 CTSL (0.34) CTSSCTSLCTSBCTSHCTSK
SCHEMBL1567247 0.83 CTSL (0.34) CTSSCTSLCTSBCTSHCTSK
SCHEMBL13908244 0.81 CTSS (0.32) CTSSCTSLCTSBCTSDCTSH
SCHEMBL3097223 0.81 CTSS (0.32) CTSSCTSLCTSBCTSDCTSH
SCHEMBL13908260 0.81 CTSS (0.32) CTSSCTSLCTSBCTSDCTSH
SCHEMBL7998425 0.80 PSEN1 (0.32) CTSSCTSLCTSBCTSD
SCHEMBL8004071 0.80 PSEN1 (0.32) CTSSCTSLCTSBCTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2009154766-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF VITAE PHARMACEUTICALS, INC. (US) 2009-12-23 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 (2 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP CTSS 56/4885CTSL 61/4885CTSB 54/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 CTSS 54/4885CTSL 47/4885CTSB 16/4885

“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.