SCHEMBL2343576

SCHEMBL2343576

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O)C3c3ccc(OCCOCc4ccccc4Cl)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.37
HRH3 Q9Y5N1 2/20 0.34
MGLL Q99685 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31

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
SCHEMBL3905577 0.92 REN (0.40) RENCYSLTR2CYSLTR1
SCHEMBL1036379 0.92 REN (0.39) RENCYSLTR2CYSLTR1
SCHEMBL2339518 0.91 REN (0.37) RENCYSLTR2CYSLTR1
SCHEMBL4583012 0.91 REN (0.37) RENCYSLTR2CYSLTR1
SCHEMBL2339965 0.91 REN (0.40) RENCYP3A4
SCHEMBL4583558 0.91 REN (0.44) RENCYP3A4
SCHEMBL2337671 0.91 REN (0.44) RENCYP3A4
SCHEMBL2342157 0.90 REN (0.39) RENCYSLTR2CYSLTR1
SCHEMBL4582330 0.90 REN (0.36) REN
SCHEMBL2337532 0.89 MMP9 (0.36) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776359-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 US disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
EP-1776359-A2 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-04-25 EP disclosed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 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-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE REN 1/4885HRH3 151/4885MGLL 2825/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885HRH3 515/4885MGLL 2386/4885

“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.