SCHEMBL19015270

SCHEMBL19015270

CCN(CC)C(=O)c1cc2c([N+](=O)[O-])c(O)c(O)cc2cc1C(=O)N(CC)CCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.66
▸ CA1 P00915 8/20 0.36
▸ CA2 P00918 8/20 0.36
▸ CA12 O43570 6/20 0.36
▸ CA9 Q16790 6/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NQO2 P16083 1/20 0.32
▸ MGLL Q99685 1/20 0.32

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
SCHEMBL29642848 1.00 COMT (0.66) COMTCA1CA2CA12CA9
SCHEMBL29642781 0.91 COMT (0.58) COMTCA1CA2CA12CA9
SCHEMBL20590973 0.91 COMT (0.58) COMTCA1CA2CA12CA9
SCHEMBL18986811 0.88 COMT (0.72) COMT
SCHEMBL31514946 0.87 COMT (0.47) COMTCA1CA2CA12CA9
SCHEMBL31514934 0.87 COMT (0.47) COMTCA1CA2CA12CA9
SCHEMBL29642891 0.83 COMT (0.79) COMTMAOAMAOB
SCHEMBL18987105 0.83 COMT (0.79) COMTMAOAMAOB
SCHEMBL18987117 0.81 COMT (1.00) COMT
SCHEMBL31514945 0.81 COMT (1.00) COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390351-B1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE KOESTER HUBERT (DE) 2025-02-26 — — EP claimed
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease KOESTER HUBERT (CH) 2021-05-18 — — US claimed
US-20180370906-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE Koester, Hubert (CH) 2018-12-27 — — US claimed
EP-3390351-B1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE KOESTER HUBERT (DE) 2025-02-26 — — EP disclosed
CN-108698984-B Bicyclic compounds for use as medicaments, in particular for the treatment of parkinson's disease H·科斯特 2022-05-10 — — CN disclosed
WO-2017103278-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE CAPROTEC BIOANALYTICS GMBH (DE) 2017-06-22 — — 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-20180370906-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE COMT, DBH, PNMT COMT 1/4885CA1 4032/4885CA2 2100/4885
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease COMT, PNMT, DBH COMT 1/4885CA1 3762/4885CA2 1917/4885

“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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