SCHEMBL5515409

SCHEMBL5515409

O=[C]OCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
ACP3 P15309 1/20 0.43
CDYL Q9Y232 1/20 0.43
DAO P14920 1/20 0.42
CYP2D6 P10635 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
KCNA5 P22460 2/20 0.40
SCN5A Q14524 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5540306 0.90 MTNR1A (0.43) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL5538679 0.88 MTNR1A (0.42) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL5542950 0.87 SLC16A3 (0.41) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL5543504 0.87 SLC16A3 (0.41) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL29852 0.81 TDP1 (0.47) TDP1CYP1A2CYP2C19CYP2C9ACP3
SCHEMBL586305 0.79 CYP1A2 (0.52) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL28601676 0.76 MTNR1A (0.46) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3047898 0.76 CYP1A2 (0.62) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL16471027 0.76 CYP1A2 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL143457 0.76 MTNR1A (0.49) MTNR1ANQO2TDP1CYP1A2CYP2C19

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
CN-107531624-B Pyrrolidine compounds 住友化学株式会社 2020-10-02 CN disclosed
EP-3287440-B1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
US-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 US disclosed
EP-3287440-A1 PYRROLIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2018-02-28 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN disclosed
WO-2000023451-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023417-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023445-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023416-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
US-5432195-A Anticholesterol NIPPON SHINYAKU COMPANY LIMITED (JP) 1995-07-11 US disclosed
EP-0601181-A1 BENZOFURAN DERIVATIVE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-06-15 EP disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 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 (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-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX MTNR1A 3967/4885NQO2 861/4885TDP1 2369/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX MTNR1A 3967/4885NQO2 861/4885TDP1 2369/4885

“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.