SCHEMBL4351586

SCHEMBL4351586

COCCCc1cc(CN(C(=O)C(CNC(=O)O)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCc2ccccn2)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.66
REN P00797 19/20 0.59
KCNH2 Q12809 10/20 0.52

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
SCHEMBL663978 0.96 CYP3A4 (0.67) CYP3A4RENKCNH2
SCHEMBL664889 0.92 CYP3A4 (0.79) CYP3A4RENKCNH2
SCHEMBL4347867 0.91 CYP3A4 (0.68) CYP3A4RENKCNH2
SCHEMBL5069415 0.90 CYP3A4 (0.64) CYP3A4RENKCNH2
SCHEMBL4349317 0.90 CYP3A4 (0.66) CYP3A4RENKCNH2
SCHEMBL664275 0.89 CYP3A4 (0.65) CYP3A4RENKCNH2
SCHEMBL668325 0.88 CYP3A4 (0.64) CYP3A4RENKCNH2
SCHEMBL4353647 0.88 REN (0.56) CYP3A4REN
SCHEMBL664020 0.87 CYP3A4 (0.80) CYP3A4RENKCNH2
SCHEMBL664368 0.87 CYP3A4 (0.71) CYP3A4RENKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090281103-A1 Renin Inhibitors REN, ACE, AGT CYP3A4 531/4885REN 1/4885KCNH2 1536/4885

“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.