SCHEMBL18986844

SCHEMBL18986844

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 2/20 0.69
▸ BCHE P06276 3/20 0.34
▸ ACHE P22303 3/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FTO Q9C0B1 1/20 0.31
▸ HSP90AA1 P07900 2/20 0.30
▸ HSP90AB1 P08238 2/20 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
SCHEMBL29642936 1.00 COMT (0.69) COMTBCHEACHENPC1HPGD
SCHEMBL18987262 0.92 COMT (0.70) COMTBCHEACHENPC1HPGD
SCHEMBL29642900 0.92 COMT (0.70) COMTBCHEACHENPC1HPGD
SCHEMBL29642820 0.91 COMT (0.69) COMTBCHEACHENPC1HPGD
SCHEMBL18987018 0.91 COMT (0.69) COMTBCHEACHENPC1HPGD
SCHEMBL18987094 0.89 COMT (0.63) COMTBCHEACHEFTO
SCHEMBL18987105 0.84 COMT (0.79) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL29642891 0.84 COMT (0.79) COMTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL20590973 0.84 COMT (0.58) COMTBCHEACHE
SCHEMBL29642781 0.84 COMT (0.58) 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 9 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-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE Koester, Hubert (CH) 2018-10-24 — — EP claimed
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 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
EP-3390351-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE Koester, Hubert (CH) 2018-10-24 — — EP 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 1/4885BCHE 15/4885ACHE 91/4885
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease COMT, PNMT, DBH COMT 1/4885BCHE 11/4885ACHE 65/4885

“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.

Send feedback