SCHEMBL2344002

SCHEMBL2344002

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(OCCCOc4ccccc4Cl)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.34
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
GRM5 P41594 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL1037839 0.94 REN (0.36) RENGRM5CYSLTR2CYSLTR1ITGB3
SCHEMBL2346192 0.92 MKNK2 (0.34) RENMET
SCHEMBL4583012 0.91 REN (0.37) RENPPARGPPARDPPARAGRM5
SCHEMBL2339518 0.91 REN (0.37) RENPPARGPPARDPPARAGRM5
SCHEMBL2338242 0.91 BMP1 (0.35) RENGRM5
SCHEMBL3268517 0.90 REN (0.34) RENGRM5
SCHEMBL2337726 0.90 REN (0.40) RENPPARGPPARDPPARA
SCHEMBL2334830 0.90 REN (0.34) REN
SCHEMBL4592794 0.90 REN (0.34) REN
SCHEMBL3272138 0.90 REN (0.35) RENGRM5

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
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

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 1/4885PPARG 3422/4885PPARD 1255/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885PPARG 4186/4885PPARD 1711/4885

“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.