SCHEMBL2339129

SCHEMBL2339129

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O)C3c3ccc(COCCCc4cc(F)ccc4F)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.33
MKNK2 Q9HBH9 2/20 0.31
PDE4B Q07343 1/20 0.31
PTGDR2 Q9Y5Y4 5/20 0.31
MGAT2 Q10469 1/20 0.30
HTR7 P34969 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2343366 0.91 PTGDR2 (0.35) RENMKNK2PTGDR2MGAT2HTR7
SCHEMBL4582330 0.90 REN (0.36) RENPDE4BPTGDR2TMEM97SIGMAR1
SCHEMBL2339965 0.89 REN (0.40) REN
SCHEMBL2342157 0.88 REN (0.39) RENMKNK2
SCHEMBL2339007 0.88 MKNK2 (0.33) MKNK2PTGDR2
SCHEMBL2337934 0.87 REN (0.36) RENMKNK2PTGDR2
SCHEMBL4583558 0.86 REN (0.44) REN
SCHEMBL2337671 0.86 REN (0.44) REN
SCHEMBL2337532 0.86 MMP9 (0.36) RENPDE4BTMEM97SIGMAR1
SCHEMBL3913491 0.86 MMP9 (0.36) RENPDE4BTMEM97SIGMAR1

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 1/4885MKNK2 2860/4885PDE4B 642/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885MKNK2 3536/4885PDE4B 984/4885

“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.