SCHEMBL2684014

SCHEMBL2684014

OC[C@H]1CNC[C@@H](O)[C@@H]1c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.47
PYGL P06737 1/20 0.47
GBA2 Q9HCG7 1/20 0.47
GAA P10253 1/20 0.47
GLB1 P16278 1/20 0.47
MGAM O43451 1/20 0.39
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 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
SCHEMBL6958961 1.00 GBA1 (0.47) GBA1PYGLGBA2GAAGLB1
Bromide SCHEMBL1941630 0.98 GBA1 (0.46) GBA1PYGLGBA2GAAGLB1
Bromide SCHEMBL5282167 0.98 GBA1 (0.46) GBA1PYGLGBA2GAAGLB1
SCHEMBL6042903 0.85 GBA1 (0.46) GBA1PYGLGBA2GAAGLB1
SCHEMBL6041817 0.84 ESR2 (0.42) GBA1GAAGLB1MGAMESR1
SCHEMBL6041814 0.84 ESR2 (0.42) GBA1GAAGLB1MGAMESR1
SCHEMBL6955872 0.81 GBA1 (0.43) GBA1PYGLGBA2GAAGLB1
SCHEMBL6042465 0.77 KDM4E (0.42) GBA1PYGLGBA2GAAGLB1
SCHEMBL6626149 0.72 REN (0.42) GBA1ESR1ESR2CYP2C9
SCHEMBL12558167 0.71 ESR2 (0.37) GBA1GAAMGAMESR1ESR2

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 GBA1 106/4885PYGL 1679/4885GBA2 293/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 GBA1 1639/4885PYGL 1515/4885GBA2 2253/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 GBA1 1611/4885PYGL 1484/4885GBA2 2240/4885

“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.