SCHEMBL1629688

SCHEMBL1629688

O[C@@H]1[C@@H](Cc2ccccc2)CNC[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 1.00
PYGL P06737 1/20 0.50
GBA2 Q9HCG7 1/20 0.50
GAA P10253 1/20 0.50
GLB1 P16278 1/20 0.50
REN P00797 7/20 0.46
CTSD P07339 2/20 0.46
CTSE P14091 2/20 0.46
PGC P20142 2/20 0.46
MAN1B1 Q9UKM7 1/20 0.43

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
Hydrochloric Acid SCHEMBL1627209 0.98 GBA1 (0.97) GBA1PYGLGBA2GAAGLB1
SCHEMBL19358438 0.89 GBA1 (0.80) GBA1RENCTSDCTSEPGC
SCHEMBL19358439 0.89 GBA1 (0.80) GBA1RENCTSDCTSEPGC
SCHEMBL19358440 0.89 GBA1 (0.80) GBA1RENCTSDCTSEPGC
Hydrochloric Acid SCHEMBL21049903 0.87 GBA1 (0.77) GBA1RENCTSDCTSEPGC
SCHEMBL12779000 0.83 GBA1 (0.71) GBA1RENCTSDCTSEPGC
SCHEMBL6856976 0.83 GBA1 (0.71) GBA1PYGLGBA2GAAGLB1
SCHEMBL6857526 0.83 GBA1 (0.71) GBA1PYGLGBA2GAAGLB1
SCHEMBL7226927 0.81 GBA1 (0.68) GBA1RENCTSDCTSEPGC
SCHEMBL5205480 0.81 GBA1 (0.68) GBA1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143875-B1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS INC (US) 2020-05-27 EP disclosed
EP-3143875-B1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS INC (US) 2020-05-27 EP disclosed
US-10421724-B2 Compositions for preventing and/or treating degenerative disorders of the central nervous system AMICUS THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
US-10421724-B2 Compositions for preventing and/or treating degenerative disorders of the central nervous system AMICUS THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
EP-2995306-B1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS INC (US) 2018-12-19 EP disclosed
US-20180334432-A1 Novel Compositions for Preventing and/or Treating Lysosomal Storage Disorders WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-11-22 US disclosed
US-20180273474-A1 Novel Compositions For Preventing And/Or Treating Degenerative Disorders Of The Central Nervous System WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-27 US disclosed
US-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
US-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
US-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
WO-2011049736-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2011-04-28 WO disclosed
WO-2011049736-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2011-04-28 WO disclosed
WO-2011049737-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2011-04-28 WO disclosed
WO-2011049737-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2011-04-28 WO disclosed
US-20110092541-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2011-04-21 US disclosed
US-20110092541-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2011-04-21 US disclosed
US-20110092541-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2011-04-21 US disclosed
US-20110091442-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2011-04-21 US disclosed
US-20110091442-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2011-04-21 US disclosed
US-20110091442-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2011-04-21 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 (6 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-20180273474-A1 Novel Compositions For Preventing And/Or Treating Degenerative Disorders Of The Central Nervous System GAP43, CHAT, PMP22 GBA1 337/4885PYGL 564/4885GBA2 319/4885
US-10421724-B2 Compositions for preventing and/or treating degenerative disorders of the central nervous system PMP22, GAP43, CHAT GBA1 306/4885PYGL 339/4885GBA2 271/4885
US-20180334432-A1 Novel Compositions for Preventing and/or Treating Lysosomal Storage Disorders GAA, GBA1, MAN2B1 GBA1 2/4885PYGL 434/4885GBA2 4/4885
US-20110091442-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS GAA, GBA1, MAN2B1 GBA1 2/4885PYGL 434/4885GBA2 4/4885
US-20110092541-A1 NOVEL COMPOSITIONS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM GAP43, CHAT, PMP22 GBA1 337/4885PYGL 564/4885GBA2 319/4885
US-10035766-B2 Compositions for preventing and/or treating lysosomal storage disorders GAA, GBA1, MAN2B1 GBA1 2/4885PYGL 381/4885GBA2 5/4885

“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.