SCHEMBL21889181

SCHEMBL21889181

CC(C)n1nc(-c2ccc(OC/C(=C/F)CN)cc2)nc1C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 20/20 1.00

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
SCHEMBL21888993 0.87 AOC3 (1.00) AOC3
SCHEMBL21889070 0.85 AOC3 (1.00) AOC3
SCHEMBL25832182 0.83 AOC3 (0.71) AOC3
SCHEMBL21889018 0.82 AOC3 (1.00) AOC3
SCHEMBL21889007 0.82 AOC3 (1.00) AOC3
SCHEMBL21889069 0.82 AOC3 (1.00) AOC3
SCHEMBL21915133 0.81 AOC3 (0.68) AOC3
SCHEMBL21889008 0.81 AOC3 (1.00) AOC3
SCHEMBL21889073 0.80 AOC3 (1.00) AOC3
SCHEMBL25841776 0.80 AOC3 (0.87) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20220024880-A1 PROCESS ROUTE OF COMPOUND OF FORMULA (IV), CRYSTAL FORM AND PREPARATION METHOD THEREFOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2022-01-27 US disclosed
EP-3901143-A1 PROCESS ROUTE OF COMPOUND OF FORMULA (IV), CRYSTAL FORM AND PREPARATION METHOD THEREFOR Shangdong Danhong Pharmaceutical Co., Ltd. (CN) 2021-10-27 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
WO-2020125776-A1 PROCESS ROUTE OF COMPOUND OF FORMULA (IV), CRYSTAL FORM AND PREPARATION METHOD THEREFOR 山东丹红制药有限公司 2020-06-25 WO disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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 (4 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 AOC3 53/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885
US-20220024880-A1 PROCESS ROUTE OF COMPOUND OF FORMULA (IV), CRYSTAL FORM AND PREPARATION METHOD THEREFOR CYP4F11, CYP4A11, CYP4F8 AOC3 986/4885

“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.