SCHEMBL661970

SCHEMBL661970

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.56
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 4/20 0.45

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
SCHEMBL660633 0.85 REN (0.53) RENKCNH2CYP3A4
SCHEMBL4682630 0.84 REN (0.46) RENKCNH2CYP3A4
SCHEMBL4705486 0.78 C5AR1 (0.41) RENKCNH2CYP3A4
SCHEMBL4682925 0.77 REN (0.56) RENKCNH2CYP3A4
SCHEMBL4681157 0.77 REN (0.51) RENKCNH2CYP3A4
SCHEMBL662616 0.77 PSMB5 (0.39) RENKCNH2CYP3A4
SCHEMBL664907 0.75 SIGMAR1 (0.42) RENKCNH2CYP3A4
SCHEMBL660635 0.75 REN (0.39) RENKCNH2
SCHEMBL4685435 0.75 LMNA (0.51) REN
SCHEMBL661971 0.74 REN (0.40) REN

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 5 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
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO 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 (2 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 1/4885KCNH2 1215/4885CYP3A4 774/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885KCNH2 1536/4885CYP3A4 531/4885

“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.