SCHEMBL5231114

SCHEMBL5231114

CC(=O)O[C@H]1CNC[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.42
FUCA1 P04066 4/20 0.39
GBA1 P04062 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 1/20 0.39
GLB1 P16278 1/20 0.39
CHRM2 P08172 4/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5230075 1.00 MAN1B1 (0.42) MAN1B1FUCA1GBA1GLAGAA
SCHEMBL18498636 0.86 CHRM2 (0.42) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL23386481 0.82 CHRM2 (0.39) MAN1B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL28807483 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL30323250 0.80 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL14655735 0.80 MAN1B1 (0.43) MAN1B1FUCA1GBA1GLAGAA
SCHEMBL28671488 0.78 MAN1B1 (0.42) MAN1B1FUCA1GBA1GLAGAA
SCHEMBL28670729 0.78 MAN1B1 (0.42) MAN1B1FUCA1GBA1GLAGAA
SCHEMBL14690441 0.78 MAN1B1 (0.42) MAN1B1FUCA1GBA1GLAGAA
SCHEMBL14690437 0.78 MAN1B1 (0.42) MAN1B1FUCA1GBA1GLAGAA

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
EP-1375496-B1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT EISAI R&D MAN CO LTD (JP) 2007-07-04 EP disclosed
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US disclosed
US-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375496-A1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2004-01-02 EP 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 (1 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-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient COASY, HCCS, SQLE MAN1B1 1492/4885FUCA1 852/4885GBA1 1581/4885

“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.