SCHEMBL556939

SCHEMBL556939

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.37
REN P00797 15/20 0.35
CYP3A4 P08684 8/20 0.35
PDE4B Q07343 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
SCHEMBL557665 0.87 REN (0.47) KCNH2RENCYP3A4
SCHEMBL556563 0.87 REN (0.47) KCNH2RENCYP3A4
SCHEMBL556940 0.86 KCNH2 (0.36) KCNH2RENCYP3A4
SCHEMBL557157 0.80 REN (0.44) KCNH2RENCYP3A4
SCHEMBL556059 0.80 REN (0.45) KCNH2RENCYP3A4
SCHEMBL556338 0.72 REN (0.49) KCNH2RENCYP3A4
SCHEMBL556482 0.72 REN (0.49) KCNH2RENCYP3A4
SCHEMBL1750732 0.71 PDE4B (0.51) KCNH2RENCYP3A4PDE4B
SCHEMBL1751490 0.71 PDE4B (0.51) KCNH2RENCYP3A4PDE4B
SCHEMBL556564 0.71 REN (0.44) 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.