SCHEMBL2423080

SCHEMBL2423080

CC(C)(C)N(C(=O)O)C1CNCC1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.37
MAN1B1 Q9UKM7 1/20 0.37
FUCA1 P04066 4/20 0.34
GLA P06280 2/20 0.34
GAA P10253 1/20 0.34
GLB1 P16278 1/20 0.34
CTSD P07339 1/20 0.32

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
SCHEMBL3278929 1.00 GBA1 (0.37) GBA1MAN1B1FUCA1GLAGAA
SCHEMBL3278934 1.00 GBA1 (0.37) GBA1MAN1B1FUCA1GLAGAA
SCHEMBL16817909 0.86 SLC6A1 (0.33)
SCHEMBL16817867 0.86 SLC6A1 (0.33)
SCHEMBL2244738 0.86 SLC6A1 (0.33)
SCHEMBL16817902 0.86 SLC6A1 (0.33)
SCHEMBL2686886 0.84 SLC6A1 (0.34) GBA1
SCHEMBL2242364 0.84 SLC6A1 (0.34) GBA1
SCHEMBL2181109 0.84 SLC6A1 (0.34) GBA1
SCHEMBL2242371 0.84 SLC6A1 (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 GBA1 2734/4885MAN1B1 3630/4885FUCA1 2465/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 GBA1 2883/4885MAN1B1 3722/4885FUCA1 2501/4885

“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.