SCHEMBL21753242

SCHEMBL21753242

CC(C)(C)OC(=O)N1CCCc2cc(S(C)(=O)=O)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.59
▸ NR1H2 P55055 1/20 0.52
▸ GPR119 Q8TDV5 16/20 0.52
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL31020127 0.93 ESR2 (0.69) ESR2NR1H2GPR119
SCHEMBL4789776 0.93 ESR2 (0.69) ESR2NR1H2GPR119
SCHEMBL18022672 0.87 ESR2 (0.53) ESR2NR1H2GPR119
SCHEMBL21753272 0.85 GPR119 (0.59) ESR2NR1H2GPR119
SCHEMBL3702146 0.83 ESR2 (0.85) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL31621565 0.82 ESR2 (0.67) ESR2NR1H2GPR119
SCHEMBL31621666 0.82 ESR2 (0.67) ESR2NR1H2GPR119NPC1RAB9A
SCHEMBL30409191 0.82 ESR2 (0.67) ESR2NR1H2GPR119
SCHEMBL4924112 0.81 NR1H2 (0.77) ESR2NR1H2NPC1RAB9AHDAC6
SCHEMBL2984097 0.81 ESR2 (0.63) ESR2NR1H2NPC1RAB9AHDAC6

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-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-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-01 — — US 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 (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-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE ESR2 1696/4885NR1H2 856/4885GPR119 340/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE ESR2 1696/4885NR1H2 856/4885GPR119 340/4885

“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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