SCHEMBL2684907

SCHEMBL2684907

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
USP5 P45974 1/20 0.38
LMNA P02545 1/20 0.37
FOLH1 Q04609 1/20 0.37
FBP1 P09467 1/20 0.37
GBA1 P04062 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2683217 0.86 CTSG (0.37) GLACTSGCMA1ALDH1A1MEN1
SCHEMBL2683687 0.86 CTSG (0.37) GLACTSGCMA1ALDH1A1MEN1
SCHEMBL5278230 0.86 CTSG (0.37) GLACTSGCMA1ALDH1A1MEN1
SCHEMBL2684087 0.84 GLA (0.47) GLAALDH1A1MEN1KMT2ATSHR
SCHEMBL3903708 0.82 GAA (0.35) GLAALDH1A1MEN1KMT2ATSHR
SCHEMBL3903700 0.82 GAA (0.35) GLAALDH1A1MEN1KMT2ATSHR
SCHEMBL6042731 0.81 GRIN2B (0.37) ALDH1A1MEN1KMT2ATSHR
SCHEMBL6959407 0.76 HDAC1 (0.34) ALDH1A1MEN1KMT2ATSHR
SCHEMBL5249814 0.75 RAB9A (0.45) MEN1KMT2ATSHRUSP5LMNA
SCHEMBL5349386 0.75 MEN1 (0.36) 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 6 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-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 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
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO 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 GLA 333/4885CTSG 16/4885CMA1 144/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 GLA 2105/4885CTSG 438/4885CMA1 75/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 GLA 2086/4885CTSG 426/4885CMA1 70/4885

“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.