SCHEMBL18987016

SCHEMBL18987016

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 9/20 0.76
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ESR1 P03372 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.31
▸ FTO Q9C0B1 2/20 0.31
▸ ABCC3 O15438 1/20 0.31
▸ ABCC4 O15439 1/20 0.31

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
SCHEMBL31514942 1.00 COMT (0.76) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31514945 0.87 COMT (1.00) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18987117 0.87 COMT (1.00) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31514943 0.86 COMT (0.55) COMTHPGDESR1CYP1A2ALDH1A1
SCHEMBL31514932 0.86 COMT (0.55) COMTHPGDESR1CYP1A2ALDH1A1
SCHEMBL18987105 0.86 COMT (0.79) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29642891 0.86 COMT (0.79) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18986811 0.82 COMT (0.72) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29642900 0.81 COMT (0.70) COMTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18987262 0.81 COMT (0.70) COMTHPGDNPC1RAB9ASMN1; SMN2

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 12 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
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 disclosed
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 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
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 1/4885HPGD 794/4885NPC1 2630/4885
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease COMT, PNMT, DBH COMT 1/4885HPGD 829/4885NPC1 2491/4885

“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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