SCHEMBL499034

SCHEMBL499034

COCCCOC(CCN(C(=O)OC(C)(C)C)C(C)C)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.36
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.34
AHCY P23526 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CPB2 Q96IY4 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
CYP2B6 P20813 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL499193 0.80 ADRB3 (0.39) CYP1A2CYP2C19
SCHEMBL499224 0.77 AOC3 (0.40) AOC3IDO1KDM4ETRPM8
SCHEMBL499264 0.75 REN (0.39) LMNAHTTAOC3CYP1A2CYP2C19
SCHEMBL498921 0.75 REN (0.39) LMNAHTTAOC3CYP1A2CYP2C19
SCHEMBL10253790 0.74 AOC3 (0.37) AOC3IDO1AHCYKDM4ECYP2B6
SCHEMBL499578 0.74 REN (0.53)
SCHEMBL499579 0.74 REN (0.53)
SCHEMBL499257 0.72 AOC3 (0.40) LMNAHTTL3MBTL1HPGDAOC3
SCHEMBL499435 0.72 CTSL (0.39) HTTAOC3ALDH1A1IDO1AHCY
SCHEMBL4754043 0.72 SLC6A4 (0.40) HTTAOC3CYP1A2CYP2C19IDO1

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-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 (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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP LMNA 3400/4885HTT 1270/4885L3MBTL1 4625/4885

“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.