SCHEMBL2274541

SCHEMBL2274541

COC1=C(N)C=CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
NR1H2 P55055 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
BCHE P06276 1/20 0.36
ESR2 Q92731 1/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 2/20 0.32
GRM1 Q13255 2/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
BACE1 P56817 1/20 0.32
KDM1A O60341 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1197795 0.78 NR1H2 (0.39) ADORA1NR1H2MAPTKDM4EBCHE
SCHEMBL6356445 0.75 NR1H2 (0.39) ADORA1NR1H2MAPTKDM4EESR2
SCHEMBL22720838 0.74 NR1H2 (0.41) NR1H2MAPTKDM4EBCHEESR2
SCHEMBL1198209 0.72 NR1H2 (0.39) ADORA1NR1H2MAPTKDM4EBCHE
SCHEMBL28831819 0.71 ESR2 (0.40) NR1H2MAPTKDM4EBCHEESR2
SCHEMBL15390474 0.71 NR1H2 (0.39) ADORA1NR1H2MAPTKDM4EBCHE
SCHEMBL4439029 0.71 NR1H2 (0.42) ADORA1NR1H2MAPTKDM4EBCHE
Acetic Acid SCHEMBL28215593 0.71 SMN1; SMN2 (0.40) ADORA1NR1H2MAPTKDM4EBCHE
SCHEMBL28688256 0.71 ESR2 (0.41) NR1H2MAPTKDM4EBCHEESR2
SCHEMBL14855016 0.70 ESR2 (0.36) ADORA1NR1H2MAPTKDM4EBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 US disclosed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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 (2 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 ADORA1 220/4885NR1H2 149/4885MAPT 582/4885
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 ADORA1 4051/4885NR1H2 3137/4885MAPT 1243/4885

“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.