SCHEMBL556940

SCHEMBL556940

COCCCC(CNC(C)=O)c1ccccc1-c1onc([C@H]2C(C(C)(C)C)N(C(=O)O)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.36
REN P00797 18/20 0.35
CYP3A4 P08684 6/20 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
SCHEMBL556939 0.86 KCNH2 (0.37) KCNH2RENCYP3A4
SCHEMBL556564 0.85 REN (0.44) KCNH2RENCYP3A4
SCHEMBL557665 0.83 REN (0.47) KCNH2RENCYP3A4
SCHEMBL557158 0.79 REN (0.44) KCNH2RENCYP3A4
SCHEMBL556060 0.79 REN (0.45) KCNH2RENCYP3A4
SCHEMBL556563 0.73 REN (0.47) KCNH2RENCYP3A4
SCHEMBL556483 0.72 REN (0.45) KCNH2RENCYP3A4
SCHEMBL556339 0.72 REN (0.45) KCNH2RENCYP3A4
SCHEMBL555873 0.68 REN (0.64) KCNH2RENCYP3A4
SCHEMBL556955 0.68 REN (0.64) KCNH2RENCYP3A4

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 KCNH2 1198/4885REN 1/4885CYP3A4 766/4885

“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.