SCHEMBL2684897

SCHEMBL2684897

COCCCN1CCOc2ccc(CO[C@H]3CNC[C@@H](OCC(O)COC)[C@@H]3c3ccc(COCC4CC4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.41
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 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
SCHEMBL2684899 1.00 REN (0.41) RENKMT2AKCNH2
SCHEMBL2688100 1.00 REN (0.41) RENKMT2AKCNH2
SCHEMBL13678858 0.96 REN (0.39) RENKMT2A
SCHEMBL2683090 0.96 REN (0.39) RENKMT2A
SCHEMBL2682321 0.96 REN (0.39) RENKMT2A
SCHEMBL2682319 0.96 REN (0.39) RENKMT2A
SCHEMBL8256877 0.94 REN (0.40) RENKMT2AKCNH2
SCHEMBL2685077 0.94 REN (0.40) RENKMT2AKCNH2
SCHEMBL4532222 0.94 REN (0.40) RENKMT2AKCNH2
SCHEMBL2685080 0.94 REN (0.40) RENKMT2AKCNH2

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-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 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 (3 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ REN 119/4885KMT2A 3247/4885KCNH2 1285/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 REN 1/4885KMT2A 3806/4885KCNH2 134/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885KMT2A 3683/4885KCNH2 135/4885

“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.