SCHEMBL2334830

SCHEMBL2334830

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.34
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PDE4B Q07343 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MKNK2 Q9HBH9 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4592794 1.00 REN (0.34) RENTMEM97SIGMAR1GPBAR1PDE4B
SCHEMBL3272138 0.95 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL4582802 0.95 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL4592680 0.94 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL2340320 0.94 REN (0.35) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL4592921 0.94 REN (0.34) RENTMEM97SIGMAR1PDE4BMKNK2
SCHEMBL2338242 0.94 BMP1 (0.35) RENPDE4B
SCHEMBL3268517 0.93 REN (0.34) RENTMEM97SIGMAR1PDE4B
SCHEMBL1037839 0.93 REN (0.36) RENMKNK2
SCHEMBL2341326 0.93 REN (0.34) RENTMEM97SIGMAR1PDE4B

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 1/4885TMEM97 1859/4885SIGMAR1 607/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885TMEM97 1244/4885SIGMAR1 2393/4885

“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.