SCHEMBL20590973

SCHEMBL20590973

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.58
▸ PARP1 P09874 1/20 0.33
▸ CA1 P00915 5/20 0.32
▸ CA2 P00918 5/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM5 P08912 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL29642781 1.00 COMT (0.58) COMTPARP1CA1CA2BCHE
SCHEMBL19015270 0.91 COMT (0.66) COMTPARP1CA1CA2BRD4
SCHEMBL29642848 0.91 COMT (0.66) COMTPARP1CA1CA2BRD4
SCHEMBL18987094 0.90 COMT (0.63) COMTBCHEACHE
SCHEMBL31514944 0.89 COMT (0.42) COMTPARP1CA1CA2BCHE
SCHEMBL31514933 0.89 COMT (0.42) COMTPARP1CA1CA2BCHE
SCHEMBL29642900 0.86 COMT (0.70) COMTBCHEACHE
SCHEMBL18987262 0.86 COMT (0.70) COMTBCHEACHE
SCHEMBL18987018 0.85 COMT (0.69) COMTBCHEACHE
SCHEMBL29642820 0.85 COMT (0.69) COMTBCHEACHE

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 5 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

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 1/4885PARP1 744/4885CA1 4032/4885
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease COMT, PNMT, DBH COMT 1/4885PARP1 815/4885CA1 3762/4885

“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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