SCHEMBL16112509

SCHEMBL16112509

CC(C)(C)OC(=O)N1CCC(=Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.52
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
OGA O60502 1/20 0.47
GPR183 P32249 1/20 0.47
MAOB P27338 3/20 0.44
TRPV1 Q8NER1 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL28045806 0.81 OGA (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL28199066 0.81 MAOB (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4959967 0.80 ESR2 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27621313 0.80 SCD5 (0.63) SCD5ALDH1A1GPR183KEAP1NFE2L2
SCHEMBL18280097 0.80 GRM5 (0.46) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL3642719 0.79 GRM5 (0.47) KDM4EMAPK1
SCHEMBL18280035 0.78 GRM5 (0.43) SCD5OGA
SCHEMBL1009267 0.78 ESR2 (0.53) OGA
SCHEMBL4635083 0.78 GRM5 (0.46) OGAMEN1KMT2A
SCHEMBL5497099 0.78 MEN1 (0.55) ALDH1A1HPGDMEN1KMT2ALMNA

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-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-9879001-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-20160031871-A1 Glycosidase Inhibitors YU HENRY (US) 2016-02-04 US disclosed
EP-2970272-A1 GLYCOSIDASE INHIBITORS Merck Patent GmbH (DE) 2016-01-20 EP disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 WO 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 (3 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-20160031871-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 SCD5 2142/4885KDM4E 2273/4885ALDH1A1 620/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 SCD5 2142/4885KDM4E 2273/4885ALDH1A1 620/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 SCD5 2142/4885KDM4E 2273/4885ALDH1A1 620/4885

“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.