SCHEMBL12920135

SCHEMBL12920135

C[Si](C)(C)CCOC(=O)NC[C@H](O[Si](C)(C)C)[C@@H](N)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.37
REN P00797 2/20 0.35
CTSK P43235 2/20 0.34
METAP1 P53582 3/20 0.34
EPHX1 P07099 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
NAAA Q02083 2/20 0.31
CTSS P25774 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31

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
SCHEMBL12920124 0.85 REN (0.44) METAP2RENCTSKMETAP1EPHX1
SCHEMBL4431521 0.83 METAP2 (0.41) METAP2RENCTSKMETAP1CTSS
SCHEMBL1862474 0.83 CTSK (0.39) METAP2RENCTSKMETAP1EPHX1
SCHEMBL4431516 0.83 METAP2 (0.41) METAP2RENCTSKMETAP1CTSS
SCHEMBL1862471 0.83 CTSK (0.39) METAP2RENCTSKMETAP1EPHX1
SCHEMBL4971254 0.76 METAP1 (0.40) METAP2METAP1EPHX1HRH4HRH3
SCHEMBL1867353 0.75 CTSK (0.37) RENCTSKEPHX1HRH4HRH3
SCHEMBL4800986 0.75 EPHX1 (0.45) EPHX1
SCHEMBL12920133 0.73 L3MBTL1 (0.39) EPHX1NAAA
SCHEMBL970172 0.73 METAP2 (0.34) METAP2RENCTSKMETAP1

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 2 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-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

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 METAP2 20/4885REN 13/4885CTSK 175/4885

“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.