SCHEMBL1072014

SCHEMBL1072014

COCCCc1cc(CCCOC)cc(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.46
KCNH2 Q12809 8/20 0.46
CYP3A4 P08684 5/20 0.44
CETP P11597 1/20 0.41

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
SCHEMBL1518385 0.84 REN (0.47) RENKCNH2CYP3A4
SCHEMBL1072075 0.83 REN (0.54) RENKCNH2CYP3A4
SCHEMBL12525830 0.82 REN (0.42) RENKCNH2CYP3A4
SCHEMBL15417882 0.82 REN (0.42) RENKCNH2CYP3A4
SCHEMBL4525755 0.81 CETP (0.39) RENKCNH2CETP
SCHEMBL1073071 0.80 REN (0.56) RENKCNH2CYP3A4
SCHEMBL1073744 0.79 REN (0.51) RENKCNH2CYP3A4
SCHEMBL1080226 0.78 REN (0.51) RENKCNH2CYP3A4
SCHEMBL2814031 0.78 REN (0.64) REN
SCHEMBL4523432 0.78 CETP (0.38) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
EP-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 EP 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 REN 1/4885KCNH2 320/4885CYP3A4 99/4885
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.