SCHEMBL499093

SCHEMBL499093

C[C@H](CN(C)C(=O)OC(C)(C)C)[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
RIPK1 Q13546 1/20 0.38
CYP2B6 P20813 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MARK4 Q96L34 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL499618 1.00 AOC3 (0.42) AOC3RIPK1CYP2B6SLC6A2SLC6A4
SCHEMBL3336584 0.82 AOC3 (0.45) AOC3SLC6A2SLC6A4TSHRRECQL
SCHEMBL4822741 0.82 AOC3 (0.45) AOC3SLC6A2SLC6A4TSHRRECQL
SCHEMBL3337325 0.82 AOC3 (0.45) AOC3SLC6A2SLC6A4TSHRRECQL
SCHEMBL3336585 0.82 AOC3 (0.45) AOC3SLC6A2SLC6A4TSHRRECQL
SCHEMBL21804705 0.82 MEN1 (0.48) AOC3RIPK1SLC6A2SLC6A4AURKA
SCHEMBL21804702 0.82 MEN1 (0.48) AOC3RIPK1SLC6A2SLC6A4AURKA
SCHEMBL21807150 0.80 AOC3 (0.41) AOC3RIPK1SLC6A2SLC6A4AURKA
SCHEMBL499535 0.80 RIPK1 (0.38) AOC3RIPK1SLC6A2SLC6A4
SCHEMBL10254243 0.79 ADRB3 (0.38) AOC3RIPK1CYP2B6SLC6A2SLC6A4

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-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

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 2000/4885RIPK1 2175/4885CYP2B6 2984/4885

“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.