SCHEMBL660633

SCHEMBL660633

CN(C)CCCc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.53
CYP3A4 P08684 3/20 0.43
KCNH2 Q12809 3/20 0.42
LMNA P02545 1/20 0.37

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
SCHEMBL1751809 0.87 REN (0.45) RENCYP3A4KCNH2
SCHEMBL1751224 0.86 REN (0.45) RENCYP3A4KCNH2
SCHEMBL1752126 0.85 REN (0.43) RENCYP3A4KCNH2
SCHEMBL661970 0.85 REN (0.56) RENCYP3A4KCNH2
SCHEMBL1750635 0.83 PTGDR2 (0.45) RENCYP3A4KCNH2
SCHEMBL1750507 0.82 REN (0.49) RENCYP3A4KCNH2
SCHEMBL1750990 0.82 REN (0.39) RENCYP3A4KCNH2
SCHEMBL1751560 0.81 REN (0.40) RENCYP3A4KCNH2
SCHEMBL662365 0.81 REN (0.40) RENCYP3A4KCNH2
SCHEMBL1751233 0.81 REN (0.51) RENCYP3A4KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885CYP3A4 774/4885KCNH2 1215/4885

“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.