SCHEMBL2683683

SCHEMBL2683683

COC(=O)c1ccc([C@@H]2[C@@H](O)CN(S(=O)(=O)Cc3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 2/20 0.36
POLB P06746 1/20 0.35
PAX8 Q06710 3/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2683678 0.82 RAB9A (0.37) MAPTALDH1A1NPSR1HSD17B10MEN1
SCHEMBL2344278 0.80 NPC1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2684431 0.79 TSHR (0.36) ALDH1A1NPSR1HSD17B10HPGDGAA
SCHEMBL5281026 0.79 TSHR (0.36) ALDH1A1NPSR1HSD17B10HPGDGAA
SCHEMBL5280813 0.71 KDM4E (0.39) MAPTALDH1A1HSD17B10HPGDGAA
SCHEMBL2682948 0.71 KDM4E (0.39) MAPTALDH1A1HSD17B10HPGDGAA
SCHEMBL2682454 0.71 GLA (0.41) ALDH1A1MEN1KMT2ATSHR
SCHEMBL5399837 0.71 GLA (0.41) ALDH1A1MEN1KMT2ATSHR
SCHEMBL2683507 0.70 LMNA (0.40) ALDH1A1KMT2ATSHR
SCHEMBL2683687 0.70 CTSG (0.37) ALDH1A1MEN1KMT2ATSHRCYP2C19

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 MAPT 529/4885ALDH1A1 3787/4885NPSR1 617/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 MAPT 4584/4885ALDH1A1 2345/4885NPSR1 161/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 MAPT 4519/4885ALDH1A1 2391/4885NPSR1 146/4885

“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.