SCHEMBL971301

SCHEMBL971301

CC(C)(C)OC(=O)N[C@H](C=O)CC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.51
CTSS P25774 2/20 0.44
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 2/20 0.38

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
SCHEMBL971299 1.00 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8354995 0.90 CTSK (0.57) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL2773107 0.90 CTSK (0.57) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL743583 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL13305814 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL3666041 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861195 0.86 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861194 0.86 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8365044 0.86 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL19744842 0.82 CTSK (0.47) CTSKCTSSCTSLCTSBKMT2A

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-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 CTSK 175/4885CTSS 204/4885CTSL 35/4885

“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.