SCHEMBL1870773

SCHEMBL1870773

CNC[C@H](CC(C)C)NC(=O)N1CCCCC1.CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@](O)(CCCCOC)c2ccccc2-c2ccccc2Cl)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.72

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
SCHEMBL1866139 1.00 REN (0.72) REN
SCHEMBL3590123 0.98 REN (0.75) REN
SCHEMBL1862315 0.98 REN (0.75) REN
SCHEMBL1861140 0.98 REN (0.75) REN
SCHEMBL1861137 0.98 REN (0.75) REN
SCHEMBL3590119 0.98 REN (0.75) REN
SCHEMBL1878479 0.98 REN (0.75) REN
SCHEMBL1873141 0.92 REN (0.70) REN
SCHEMBL1872312 0.92 REN (0.72) REN
SCHEMBL1875787 0.92 REN (0.70) REN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE REN 298/4885

“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.