SCHEMBL4528996

SCHEMBL4528996

Cc1cccc(CN(C(=O)C(CNC(=O)OC(C)(C)C)Cc2cnc(OCCO)s2)C2CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.42
PDPK1 O15530 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4537821 0.92 REN (0.42) RENPDPK1CYP3A4
SCHEMBL4520020 0.89 REN (0.56) RENCYP3A4
SCHEMBL4532059 0.88 REN (0.51) RENCYP3A4
SCHEMBL3921027 0.88 REN (0.48) RENCYP3A4
SCHEMBL4525497 0.88 REN (0.49) RENCYP3A4
SCHEMBL3914234 0.88 REN (0.46) RENCYP3A4
SCHEMBL3911128 0.87 REN (0.45) RENCYP3A4
SCHEMBL4528587 0.79 REN (0.42) RENCYP3A4ALDH1A1
SCHEMBL4523700 0.76 REN (0.53) RENCYP3A4
SCHEMBL4523705 0.76 REN (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 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-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885PDPK1 1207/4885CYP3A4 534/4885

“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.