SCHEMBL2028913

SCHEMBL2028913

COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cc(=O)n(C)c3ccccc23)C2CC2)cc(OCCOC)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.71
KCNH2 Q12809 12/20 0.71
CYP3A4 P08684 7/20 0.45
SGMS1 Q86VZ5 2/20 0.44
SGMS2 Q8NHU3 2/20 0.44

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
SCHEMBL2028911 1.00 REN (0.71) RENKCNH2CYP3A4SGMS1SGMS2
SCHEMBL1518423 0.88 REN (0.69) RENKCNH2CYP3A4
SCHEMBL1069755 0.88 REN (0.69) RENKCNH2CYP3A4
SCHEMBL1518424 0.88 REN (0.69) RENKCNH2CYP3A4
SCHEMBL1071478 0.84 REN (0.52) RENKCNH2CYP3A4
SCHEMBL1071479 0.84 REN (0.52) RENKCNH2CYP3A4
SCHEMBL12584253 0.83 REN (1.00) RENKCNH2CYP3A4
SCHEMBL2028370 0.83 REN (1.00) RENKCNH2CYP3A4
SCHEMBL2028367 0.83 REN (1.00) RENKCNH2CYP3A4
SCHEMBL2028372 0.83 REN (1.00) RENKCNH2CYP3A4

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-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 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-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 585/4885CYP3A4 136/4885

“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.