SCHEMBL4534720

SCHEMBL4534720

CCN(C)C(=O)CO[C@@H]1CNC[C@H](OCc2ccc3c(c2)N(CCCOC)CCO3)[C@H]1c1ccc(COC)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
RORC P51449 5/20 0.33
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL8258202 1.00 REN (0.38) RENRORCTSHRKMT2A
SCHEMBL2684845 0.95 REN (0.39) RENRORCTSHRKMT2A
SCHEMBL8471463 0.95 REN (0.42) RENRORCKMT2A
SCHEMBL2683202 0.95 REN (0.42) RENRORCKMT2A
SCHEMBL8234737 0.94 REN (0.42) RENRORC
SCHEMBL3906372 0.94 REN (0.40) RENRORC
SCHEMBL3906351 0.94 REN (0.42) RENRORC
SCHEMBL13678856 0.94 REN (0.38) RENRORCTSHRKMT2A
SCHEMBL2684091 0.93 REN (0.37) RENRORCKMT2A
SCHEMBL2684089 0.90 REN (0.34) RENRORCKMT2A

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 7 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
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
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US 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 119/4885RORC 4667/4885TSHR 4539/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 REN 1/4885RORC 4500/4885TSHR 1153/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885RORC 4506/4885TSHR 1092/4885

“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.