SCHEMBL2683217

SCHEMBL2683217

COC(=O)c1ccc([C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
GLA P06280 1/20 0.36
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
USP5 P45974 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL2683687 1.00 CTSG (0.37) CTSGCMA1GLAGBA1ALDH1A1
SCHEMBL5278230 1.00 CTSG (0.37) CTSGCMA1GLAGBA1ALDH1A1
SCHEMBL5349386 0.88 MEN1 (0.36) GLAGBA1ALDH1A1MEN1KMT2A
SCHEMBL2684907 0.86 GLA (0.40) CTSGCMA1GLAGBA1ALDH1A1
SCHEMBL5399837 0.86 GLA (0.41) GLAALDH1A1MEN1KMT2ATSHR
SCHEMBL2682454 0.86 GLA (0.41) GLAALDH1A1MEN1KMT2ATSHR
SCHEMBL2683681 0.81 GLA (0.43) CTSGCMA1GLAALDH1A1MEN1
SCHEMBL2682607 0.81 GLA (0.41) CTSGCMA1GLAALDH1A1MEN1
SCHEMBL5361146 0.81 GLA (0.41) CTSGCMA1GLAALDH1A1MEN1
SCHEMBL3903708 0.73 GAA (0.35) GLAALDH1A1MEN1KMT2ATSHR

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 CTSG 16/4885CMA1 144/4885GLA 333/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 CTSG 438/4885CMA1 75/4885GLA 2105/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 CTSG 426/4885CMA1 70/4885GLA 2086/4885

“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.