SCHEMBL663601

SCHEMBL663601

COCCCc1ccc(Cl)c(CN(C(=O)C(Cc2ccc(OCCOc3c(Cl)cc(CCCO)cc3Cl)cc2)CN(C(=O)O)C(C)(C)C)C2CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.69
CYP3A4 P08684 5/20 0.69

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
SCHEMBL660834 0.92 REN (0.65) RENCYP3A4
SCHEMBL660842 0.91 REN (0.67) RENCYP3A4
SCHEMBL664853 0.90 REN (0.86) RENCYP3A4
SCHEMBL1353748 0.87 REN (0.72) RENCYP3A4
SCHEMBL662628 0.85 REN (0.73) RENCYP3A4
SCHEMBL662041 0.84 REN (0.74) RENCYP3A4
SCHEMBL662054 0.82 CYP3A4 (0.69) RENCYP3A4
SCHEMBL663237 0.82 CYP3A4 (0.69) RENCYP3A4
SCHEMBL662677 0.82 REN (1.00) RENCYP3A4
SCHEMBL662944 0.82 REN (0.90) RENCYP3A4

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 774/4885

“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.