SCHEMBL5334339

SCHEMBL5334339

CCOC(=O)c1cnc(N2CCNCC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.55
PARP1 P09874 1/20 0.49
TNK2 Q07912 1/20 0.49
TNK1 Q13470 1/20 0.49
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
SNCA P37840 1/20 0.45
HDAC2 Q92769 6/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 3/20 0.43

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
Hydrochloric Acid SCHEMBL17541458 0.99 OGA (0.54) OGAPARP1TNK2TNK1CDC7
SCHEMBL16982078 0.85 OGA (0.59) OGAPARP1TNK2TNK1CDC7
SCHEMBL16113724 0.85 OGA (0.49) OGAPARP1TNK2TNK1CDC7
SCHEMBL4092990 0.85 CRBN (0.55) CYP1A2CYP2C18CYP2C19KCNH2SNCA
SCHEMBL30908402 0.84 OGA (0.55) OGAPARP1TNK2TNK1CDC7
SCHEMBL3787851 0.83 OGA (0.57) OGAPARP1TNK2TNK1CDC7
SCHEMBL2297207 0.82 OGA (0.48) OGAPARP1TNK2TNK1CDC7
Hydrochloric Acid SCHEMBL2831916 0.81 HDAC2 (0.45) OGACYP1A2CYP2C18CYP2C19KCNH2
SCHEMBL31281641 0.81 HRH3 (0.53) OGAPARP1TNK2TNK1CDC7
SCHEMBL3159022 0.80 ALDH1A1 (0.39) OGAPARP1TNK2TNK1CYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591327-B2 Acid addition salts of piperazine derivatives ASCENEURON SA (CH) 2023-02-28 US disclosed
US-20220411440-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-29 US disclosed
EP-3186243-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-21 EP disclosed
US-11046712-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2021-06-29 US disclosed
EP-3419976-B1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-04-07 EP disclosed
US-20200385375-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2020-12-10 US disclosed
US-10336775-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2019-07-02 US disclosed
US-20170298082-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2017-10-19 US disclosed
US-20170298082-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2017-10-19 US disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2016030443-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2016-03-03 WO disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 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 (9 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-20200385375-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES DNPEP, GAA, SLC30A5 OGA 452/4885PARP1 1736/4885TNK2 3791/4885
US-20220411440-A1 GLYCOSIDASE INHIBITORS GAA, ENGASE, GBA3 OGA 77/4885PARP1 1179/4885TNK2 2711/4885
US-11591327-B2 Acid addition salts of piperazine derivatives DNPEP, GAA, SLC30A5 OGA 452/4885PARP1 1736/4885TNK2 3791/4885
US-20170298082-A1 GLYCOSIDASE INHIBITORS GAA, ENGASE, GBA3 OGA 77/4885PARP1 1179/4885TNK2 2711/4885
US-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 OGA 866/4885PARP1 203/4885TNK2 362/4885
US-10336775-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 OGA 77/4885PARP1 1179/4885TNK2 2711/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 OGA 866/4885PARP1 203/4885TNK2 362/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 OGA 4512/4885PARP1 4041/4885TNK2 1342/4885
US-11046712-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 OGA 77/4885PARP1 1179/4885TNK2 2711/4885

“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.