SCHEMBL4438919

SCHEMBL4438919

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.36
RORC P51449 5/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4438922 1.00 REN (0.36) RENRORCKMT2ATSHRSLC6A2
SCHEMBL3873828 0.94 REN (0.37) RENRORCKMT2A
SCHEMBL3873825 0.94 REN (0.37) RENRORCKMT2A
SCHEMBL2256677 0.93 REN (0.35) RENRORCKMT2ATSHR
SCHEMBL2256673 0.93 REN (0.35) RENRORCKMT2ATSHR
SCHEMBL3872812 0.91 REN (0.37) REN
SCHEMBL3872808 0.91 REN (0.37) REN
SCHEMBL1038995 0.91 REN (0.34) RENRORC
SCHEMBL1038993 0.91 REN (0.34) RENRORC
SCHEMBL13603547 0.90 REN (0.41) REN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625893-B2 Substituted 4-phenyl piperidines for use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-12-01 US disclosed
US-7625893-B2 Substituted 4-phenyl piperidines for use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-12-01 US disclosed
US-7625893-B2 Substituted 4-phenyl piperidines for use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-12-01 US disclosed
WO-2009121914-A1 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 WO disclosed
US-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors SPEEDEL EXPERIMENTA AG 2009-04-02 US disclosed
US-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors SPEEDEL EXPERIMENTA AG 2009-04-02 US disclosed
US-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors SPEEDEL EXPERIMENTA AG 2009-04-02 US disclosed
EP-1911758-A1 Phenyl piperidine derivatives for use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 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 (1 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-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors REN, AGTR1, ACE REN 1/4885RORC 4112/4885KMT2A 4027/4885

“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.