SCHEMBL498977

SCHEMBL498977

CNC[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)N(C)CC[C@@H](OCCNC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
CYP3A4 P08684 3/20 0.38
CCKBR P32239 1/20 0.36
P2RX7 Q99572 4/20 0.35
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 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
SCHEMBL4788345 1.00 REN (0.38) RENCYP3A4CCKBRP2RX7SLC6A4
SCHEMBL8084854 0.93 REN (0.45) RENCYP3A4CCKBRP2RX7
SCHEMBL499017 0.91 REN (0.36) RENCYP3A4CCKBRP2RX7SLC6A4
SCHEMBL3334699 0.87 REN (0.41) RENCYP3A4SLC6A4SLC6A2
SCHEMBL3340010 0.84 REN (0.55) RENCYP3A4
SCHEMBL4756982 0.84 REN (0.55) RENCYP3A4
SCHEMBL499549 0.84 REN (0.55) RENCYP3A4
SCHEMBL4789559 0.82 REN (0.55) RENCYP3A4
SCHEMBL499077 0.82 REN (0.55) RENCYP3A4
SCHEMBL3333717 0.81 REN (0.45) RENCYP3A4

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-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US claimed
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 REN 2/4885CYP3A4 1848/4885CCKBR 1006/4885

“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.