SCHEMBL21753260

SCHEMBL21753260

COC(=O)c1cnc2c(c1)OCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 6/20 0.41
PSMD14 O00487 1/20 0.39
SPR P35270 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
GSK3B P49841 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
SCHEMBL30557046 1.00 MAPK1 (0.45) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL17957616 0.82 MAPK1 (0.40) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL29618351 0.81 ALDH1A1 (0.40) MAPK1KDM4EALDH1A1NPC1RAB9A
SCHEMBL31285682 0.80 MAPK1 (0.41) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL25789750 0.76 MAPK1 (0.41) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL15878795 0.75 GRM5 (0.45) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL19020788 0.75 KDM4E (0.49) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL17957480 0.74 NR1H2 (0.42) SMN1; SMN2MAPTTP53
SCHEMBL30445521 0.74 RARB (0.46) MAPK1KDM4EL3MBTL1ATMALDH1A1
SCHEMBL26154767 0.74 RARB (0.46) MAPK1KDM4EL3MBTL1ATMALDH1A1

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-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-01 US disclosed
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-05-12 US disclosed
US-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-05-12 US disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 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-20220143042-A1 FUSED GLYCOSIDASE INHIBITORS BACE1, ENGASE, GBA3 MAPK1 3984/4885KDM4E 1953/4885L3MBTL1 1035/4885
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE MAPK1 4263/4885KDM4E 2012/4885L3MBTL1 202/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE MAPK1 4263/4885KDM4E 2012/4885L3MBTL1 202/4885

“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.