SCHEMBL16114136

SCHEMBL16114136

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.53
TP53 P04637 3/20 0.51
POLB P06746 2/20 0.51
THRB P10828 1/20 0.51
SCD5 Q86SK9 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
LMNA P02545 1/20 0.51
MCHR1 Q99705 1/20 0.48
MAPT P10636 3/20 0.47
MMP13 P45452 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GPR183 P32249 1/20 0.46

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
SCHEMBL3645227 0.84 GPR119 (0.45) MCHR1GPR119KDM4EPKMGPR183
SCHEMBL28824741 0.83 MCHR1 (0.48) MCHR1
SCHEMBL8347737 0.82 KEAP1 (0.49) TP53POLBTHRBSCD5KEAP1
SCHEMBL3595243 0.81 ALDH1A1 (0.63) POLBLMNAMAPTKDM4E
SCHEMBL18280030 0.80 DPP4 (0.52) TP53GPR119KDM4EPKM
SCHEMBL2452509 0.80 CCR3 (0.52) TP53GPR119KDM4EPKM
SCHEMBL16113579 0.79 GPR119 (0.61) TP53THRBLMNAMAPTGPR119
SCHEMBL12263494 0.79 KDM4E (0.53) TP53GPR119KDM4EPKM
SCHEMBL2250178 0.79 GPR119 (0.60) TP53GPR119KDM4EPKM
SCHEMBL3640283 0.79 KDM4E (0.54) GPR119KDM4EPKM

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 9 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-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 EP disclosed
US-9879001-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 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 (4 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 BMP1 3926/4885TP53 2570/4885POLB 2764/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 BMP1 3926/4885TP53 2570/4885POLB 2764/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 BMP1 3926/4885TP53 2570/4885POLB 2764/4885
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 BMP1 15/4885TP53 429/4885POLB 2851/4885

“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.