SCHEMBL1036574

SCHEMBL1036574

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.47
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34

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
SCHEMBL2685315 0.99 REN (0.47) RENGBA1UGCGGBA2
SCHEMBL2685143 0.97 REN (0.51) RENGBA1UGCGGBA2
SCHEMBL8260003 0.94 REN (0.49) RENGBA1UGCGGBA2
SCHEMBL2685684 0.93 REN (0.45) RENGBA1UGCGGBA2
SCHEMBL2684724 0.93 REN (0.46) REN
SCHEMBL8427541 0.93 REN (0.42) REN
SCHEMBL8430945 0.93 REN (0.42) REN
SCHEMBL2685318 0.93 REN (0.42) RENGBA1UGCGGBA2
SCHEMBL2685519 0.93 REN (0.45) RENGBA1UGCGGBA2
SCHEMBL2682897 0.92 REN (0.43) 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 13 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
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO 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 (4 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 119/4885GBA1 106/4885UGCG 1414/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 REN 1/4885GBA1 1639/4885UGCG 3855/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 REN 1/4885GBA1 1611/4885UGCG 3820/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 REN 29/4885GBA1 2863/4885UGCG 3724/4885

“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.