SCHEMBL21669699

SCHEMBL21669699

CC(C)(C)OC(=O)N1CCc2sc3c(c2C1)CN(C(=O)OC(C)(C)C)CC3O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
MKNK1 Q9BUB5 5/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
P2RX3 P56373 1/20 0.36
GRAMD1A Q96CP6 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21670010 0.78 ADORA1 (0.43) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL6424372 0.78 ADORA1 (0.53) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL21638867 0.76 DTYMK (0.44)
SCHEMBL17377126 0.75 ADORA1 (0.51) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL17377058 0.75 ADORA1 (0.51) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL23790931 0.74 ADORA1 (0.39) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL31166059 0.73 ADORA1 (0.61) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL6425010 0.73 ADORA1 (0.55) ADORA1MAPTKDM4EESR2NR1H2
SCHEMBL17081077 0.73 NR1H2 (0.44) MAPTKDM4EESR2NR1H2MEN1
SCHEMBL21605391 0.73 MAPT (0.60) ADORA1MAPTKDM4EESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3830087-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2023-05-24 EP disclosed
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2022-12-20 US disclosed
US-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 US disclosed
WO-2020025587-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 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 (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-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections NQO1, ALPI, LCT ADORA1 3150/4885MAPT 4142/4885KDM4E 3565/4885
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, ALPI, LCT ADORA1 3150/4885MAPT 4142/4885KDM4E 3565/4885

“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.