SCHEMBL499224

SCHEMBL499224

CN(CCC(OCCN)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
PDK2 Q15119 1/20 0.37
IDO1 P14902 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ACHE P22303 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
RIPK1 Q13546 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
TDO2 P48775 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
SCHEMBL4755890 0.86 AOC3 (0.44) AOC3IDO1KDM4ETRPM8
SCHEMBL499264 0.85 REN (0.39) AOC3IDO1KDM4EAURKARPS6KB1
SCHEMBL498921 0.85 REN (0.39) AOC3IDO1KDM4EAURKARPS6KB1
SCHEMBL10253790 0.84 AOC3 (0.37) AOC3PDK2IDO1KDM4EAURKA
SCHEMBL499435 0.84 CTSL (0.39) AOC3PDK2IDO1KDM4EAURKA
SCHEMBL499213 0.82 UTS2R (0.35) PDK2IDO1KDM4EUTS2R
SCHEMBL31462722 0.82 AOC3 (0.39) AOC3PDK2IDO1KDM4EAURKA
SCHEMBL4754043 0.81 SLC6A4 (0.40) AOC3IDO1KDM4EAURKARPS6KB1
SCHEMBL499535 0.81 RIPK1 (0.38) AOC3IDO1RIPK1
SCHEMBL25107446 0.78 KDM4E (0.39) AOC3PDK2KDM4EACHERIPK1

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
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
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 AOC3 2000/4885PDK2 2610/4885IDO1 2162/4885

“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.