SCHEMBL3005071

SCHEMBL3005071

COC(=O)NCCCN(c1cccc(Cl)c1)c1cccc(C(=O)N[C@@H](CC2CCCCC2)CN(C)C(=O)OCC[Si](C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.42
CYP3A4 P08684 2/20 0.41
CTSS P25774 2/20 0.37
PPM1D O15297 1/20 0.37
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
METAP2 P50579 1/20 0.34

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
SCHEMBL3005069 1.00 REN (0.42) RENCYP3A4CTSSPPM1DCTSL
SCHEMBL3000136 0.94 REN (0.38) RENCYP3A4CTSSPPM1DMETAP2
SCHEMBL3000140 0.94 REN (0.38) RENCYP3A4CTSSPPM1DMETAP2
SCHEMBL3004685 0.91 CHRNB2 (0.38) RENCYP3A4CTSSPPM1DCTSL
SCHEMBL3004682 0.91 CHRNB2 (0.38) RENCYP3A4CTSSPPM1DCTSL
SCHEMBL3004738 0.85 REN (0.55) RENCYP3A4
SCHEMBL2998864 0.85 REN (0.55) RENCYP3A4
SCHEMBL1866530 0.80 CTSL (0.39) CTSSPPM1DCTSLCTSK
SCHEMBL1866531 0.80 CTSL (0.39) CTSSPPM1DCTSLCTSK
SCHEMBL1861541 0.80 CTSL (0.39) CTSSCTSLCTSK

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-20100190829-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC 2010-07-29 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-20100190829-A1 RENIN INHIBITORS ACE, REN, DNPEP REN 2/4885CYP3A4 3133/4885CTSS 56/4885

“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.