SCHEMBL5548320

SCHEMBL5548320

CN([C]=O)CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
SIGMAR1 Q99720 6/20 0.56
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
ALOX5 P09917 2/20 0.46

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
SCHEMBL5535240 0.94 SIGMAR1 (0.61) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL5543658 0.93 SIGMAR1 (0.65) AOC3SIGMAR1KCNH2TAAR1ALOX5
SCHEMBL5544015 0.93 SIGMAR1 (0.65) AOC3SIGMAR1KCNH2TAAR1ALOX5
SCHEMBL1300012 0.88 TAAR1 (0.59) AOC3SIGMAR1TAAR1
SCHEMBL7803237 0.80 KCNH2 (0.52) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL1300363 0.79 ALOX5 (0.54) AOC3SIGMAR1KCNH2TAAR1ALOX5
SCHEMBL12902332 0.77 SIGMAR1 (0.88) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL119103 0.77 SIGMAR1 (0.83) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL10501260 0.77 AOC3 (0.58) AOC3SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL5540856 0.76 SIGMAR1 (0.47) AOC3SIGMAR1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557787-B1 Imidazolylphenol derivatives, medicaments containing them and a process for the preparation of these compounds and medicaments GRUENENTHAL GMBH (DE) 2000-05-24 EP claimed
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-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP disclosed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US disclosed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AOC3 259/4885SIGMAR1 234/4885CHRM2 862/4885
US-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 AOC3 1123/4885SIGMAR1 505/4885CHRM2 1674/4885

“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.