SCHEMBL2685049

SCHEMBL2685049

COCCCN1CCOc2ccc(CO[C@H]3CNC[C@@H](CNC(=O)N4CCOCC4)[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.42
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RORC P51449 3/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL2684438 0.91 REN (0.40) RENRORCKMT2ATSHR
SCHEMBL2689611 0.90 REN (0.42) RENMAPTTHRBKMT2A
SCHEMBL2692687 0.89 REN (0.41) RENMAPTTHRBRORCKMT2A
SCHEMBL2686150 0.89 REN (0.39) RENRORCKMT2ATSHR
SCHEMBL2682978 0.89 REN (0.39) RENMAPTTHRBKMT2ATSHR
SCHEMBL4540202 0.88 REN (0.39) RENMAPTTHRBKMT2A
SCHEMBL2685810 0.88 REN (0.38) RENRORCTSHR
SCHEMBL2685474 0.87 REN (0.38) RENMAPTTHRBRORCTSHR
SCHEMBL2684877 0.87 REN (0.39) RENRORCKMT2ATSHR
SCHEMBL4532272 0.87 REN (0.41) RENKMT2ATSHR

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 3 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

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-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 REN 1/4885MAPT 4584/4885THRB 1697/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885MAPT 4519/4885THRB 1596/4885

“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.