SCHEMBL12920133

SCHEMBL12920133

C[Si](C)(C)CCOC(=O)NC[C@H](O[Si](C)(C)C)[C@H](CC1CCCCC1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 1/20 0.38
MGLL Q99685 2/20 0.37
EPHX1 P07099 1/20 0.36
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
ALDH1A1 P00352 4/20 0.34
FAAH O00519 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CCR3 P51677 1/20 0.32
AR P10275 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4440644 0.89 L3MBTL1 (0.42) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL4440649 0.89 L3MBTL1 (0.42) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL968408 0.83 L3MBTL1 (0.38) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL968405 0.83 L3MBTL1 (0.38) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL3601068 0.79 L3MBTL1 (0.40) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL3601072 0.79 L3MBTL1 (0.40) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL3604532 0.77 L3MBTL1 (0.40) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL3604530 0.77 L3MBTL1 (0.40) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL5511617 0.74 MGLL (0.53) L3MBTL1NAAAMGLLEPHX1ADAMTS4
SCHEMBL12992019 0.73 MGLL (0.48) L3MBTL1NAAAMGLLADAMTS4ADAMTS5

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 L3MBTL1 1464/4885NAAA 144/4885MGLL 772/4885

“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.