SCHEMBL2682844

SCHEMBL2682844

C=CCOc1ccc([C@@H]2[C@@H](O)CN(C(=O)O)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
FPR1 P21462 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 3/20 0.32
APOBEC3A P31941 1/20 0.32
CASP6 P55212 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4583065 0.87 FAAH (0.37) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3268191 0.87 FAAH (0.37) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL2684975 0.85
SCHEMBL3905395 0.84 PAX8 (0.36) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL3943583 0.84 KDM4E (0.34) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3914447 0.84 ACACB (0.35) GAAALDH1A1TSHRMMP2MMP9
SCHEMBL2684607 0.82
SCHEMBL5281026 0.79 TSHR (0.36) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL2684431 0.79 TSHR (0.36) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL3908901 0.78

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 10 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
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP 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
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 WO 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 (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 GAA 94/4885MAPT 529/4885ALDH1A1 3787/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 GAA 341/4885MAPT 4584/4885ALDH1A1 2345/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 GAA 317/4885MAPT 4519/4885ALDH1A1 2391/4885
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE GAA 505/4885MAPT 3262/4885ALDH1A1 1868/4885

“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.