SCHEMBL13100613

SCHEMBL13100613

CCCCOC[C@H]1CN(Cc2ccccc2)C[C@@H](OCCCC)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
FUCA1 P04066 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 5/20 0.41
S1PR3 Q99500 4/20 0.41

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
SCHEMBL14388983 0.88 GBA1 (0.59) GBA1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL13100614 0.88 GBA1 (0.59) GBA1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL456687 0.88 GBA1 (0.59) GBA1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL13100637 0.87 GBA1 (0.45) GBA1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL14497212 0.82 GBA1 (0.52) GBA1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL13090653 0.80 GBA1 (0.49) GBA1FUCA1RAB9AS1PR5
SCHEMBL13100615 0.78 S1PR1 (0.41) GBA1FUCA1MEN1KMT2ATSHR
SCHEMBL14890255 0.78 S1PR5 (0.52) FUCA1RAB9AS1PR1S1PR5S1PR3
SCHEMBL14760283 0.78 S1PR5 (0.52) FUCA1RAB9AS1PR1S1PR5S1PR3
SCHEMBL14760297 0.78 S1PR5 (0.52) FUCA1RAB9AS1PR1S1PR5S1PR3

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-8940766-B2 Methods for preventing and/or treating lysosomal storage disorders AMICUS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
EP-2416655-B1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS INC (US) 2014-06-25 EP 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
WO-2010118283-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2010-10-14 WO 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 727/4885ALDH1A1 605/4885
US-20100260740-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS GBA1, GAA, MAN2B1 GBA1 1/4885FUCA1 156/4885ALDH1A1 940/4885

“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.