SCHEMBL24914089

SCHEMBL24914089

CNc1cc(OCCOC)cc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.45
▸ ESR2 Q92731 1/20 0.44
▸ NR1H2 P55055 2/20 0.43
▸ MAPT P10636 3/20 0.39
▸ GPR119 Q8TDV5 5/20 0.38
▸ RET P07949 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90B1 P14625 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
SCHEMBL30789194 1.00 GCK (0.45) GCKESR2NR1H2MAPTGPR119
SCHEMBL31014030 0.89 ESR2 (0.43) GCKESR2NR1H2MAPTGPR119
SCHEMBL29168624 0.86 HSP90AA1 (0.38) ESR2KDM4EHSP90AA1HSP90B1
SCHEMBL30156709 0.85 ESR2 (0.46) GCKESR2NR1H2MAPTGPR119
SCHEMBL30789204 0.85 ESR2 (0.46) GCKESR2NR1H2MAPTGPR119
SCHEMBL21659712 0.80 ESR2 (0.63) GCKESR2NR1H2MAPTGPR119
SCHEMBL21659498 0.80 NR1H2 (0.62) GCKESR2NR1H2MAPTGPR119
SCHEMBL17463411 0.77 ABCB1 (0.46) GCKESR2NR1H2MAPTGPR119
SCHEMBL31013911 0.77 GPR119 (0.41) ESR2NR1H2MAPTGPR119
SCHEMBL21659367 0.77 ESR2 (0.47) ESR2NR1H2MAPTHDAC1HDAC6

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
US-20240293392-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-09-05 — — US disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 — — CN disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 — — WO disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 — — 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 (1 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-20240293392-A1 INHIBITOR COMPOUNDS MSH2, PMS2, MSH6 GCK 3911/4885ESR2 568/4885NR1H2 2027/4885

“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.

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