SCHEMBL13090653

SCHEMBL13090653

O[C@@H]1[C@@H](COCc2ccccc2)CN(Cc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
FUCA1 P04066 2/20 0.49
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MTAP Q13126 1/20 0.43
S1PR5 Q9H228 1/20 0.41
PDE4D Q08499 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL440211 0.87 GBA1 (0.66) GBA1FUCA1S1PR5
SCHEMBL2454394 0.87 GBA1 (0.66) GBA1FUCA1S1PR5
SCHEMBL403643 0.87 GBA1 (0.66) GBA1FUCA1S1PR5
SCHEMBL13090657 0.86 FUCA1 (0.50) GBA1FUCA1S1PR5NPC1RAB9A
SCHEMBL587335 0.86 FUCA1 (0.50) GBA1FUCA1S1PR5NPC1RAB9A
SCHEMBL5351452 0.82 GBA1 (0.42) GBA1FUCA1BCHEACHEMTAP
SCHEMBL441959 0.81 BCHE (0.42) BCHEACHEPDE4D
SCHEMBL8171730 0.80 FUCA1 (0.53) FUCA1S1PR5
SCHEMBL13100613 0.80 GBA1 (0.44) GBA1FUCA1S1PR5RAB9A
SCHEMBL500382 0.80 GBA1 (0.58) GBA1FUCA1S1PR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940766-B2 Methods for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
US-8304429-B2 Methods for preventing and/or treating degenerative disorders of the central nervous system AMICUS THERAPEUTICS, INC. (US) 2012-11-06 US disclosed
US-20100261753-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2010-10-14 US disclosed
US-20100260740-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2010-10-14 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 (2 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-20100261753-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM SNCA, BDNF, PARK7 GBA1 71/4885FUCA1 727/4885BCHE 19/4885
US-20100260740-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS GBA1, GAA, MAN2B1 GBA1 1/4885FUCA1 156/4885BCHE 720/4885

“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.