SCHEMBL5537535

SCHEMBL5537535

O=[C]CCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.46
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
DAO P14920 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3245739 0.88 TAAR1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL5541596 0.86 TAAR1 (0.48) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL5535992 0.84 TAAR1 (0.47) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL7438258 0.83 TAAR1 (0.57) TAAR1IDO1PNMTSMN1; SMN2
SCHEMBL5540201 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1343862 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL6740216 0.78 TAAR1 (0.71) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL96464 0.77 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL97847 0.76 TAAR1 (0.52) TAAR1HIF1ASMN1; SMN2
SCHEMBL910690 0.76 GABRA1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0796618-B1 Treatment and prophylaxis of pancreatitis SANKYO CO (JP) 2002-01-30 EP disclosed
WO-2000041690-A9 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM UNIV CALIFORNIA (US) 2001-10-11 WO disclosed
WO-2000041690-A1 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-20 WO disclosed
US-5968960-A ANTIISCHEMIC AGENTS AND HYPOTENSIVE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-10-19 US disclosed
US-5804590-A ADMINISTERING DERIVATIVES OF THIAZOLIDINE; ANTI-DIABETIC AGENTS. SANKYO COMPANY, LIMITED (JP) 1998-09-08 US disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed
EP-0796618-A1 Treatment and prophylaxis of pancreatitis SANKYO COMPANY LIMITED (JP) 1997-09-24 EP disclosed
EP-0783888-A1 Use of troglitazone and related thiazolidinediones in the manufacture of a medicament for the treatment and prophylaxis of osteoporosis SANKYO COMPANY LIMITED (JP) 1997-07-16 EP disclosed
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
EP-0047412-B1 PYRAZINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-07-25 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
EP-0047412-A1 Pyrazines, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-03-17 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885IDO1 3181/4885PNMT 4701/4885

“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.