SCHEMBL5541550

SCHEMBL5541550

FC(F)(F)Oc1ccccc1COc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CETP P11597 1/20 0.40
LNPEP Q9UIQ6 1/20 0.39
MAOB P27338 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL5543073 0.85 FFAR4 (0.40) OPRM1OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL920917 0.79 IDO1 (0.53) MAOBMAOA
SCHEMBL5543553 0.78 MAOB (0.61) MAOBSLC6A4FFAR4FFAR1MAOA
SCHEMBL28545909 0.77 ALOX5AP (0.38) OPRM1OPRD1CETPLNPEPSLC6A2
SCHEMBL5542762 0.75 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3FFAR4FFAR1
SCHEMBL863430 0.75 MAOB (0.60) MAOBKCNH2
SCHEMBL18621051 0.75 LNPEP (0.44) OPRM1OPRD1CETPLNPEPFFAR4
SCHEMBL4638370 0.75 MAOB (0.53) OPRM1OPRD1CETPLNPEPMAOB
SCHEMBL5095783 0.75 OPRM1 (0.47) OPRM1OPRD1CETPLNPEPMAOB
SCHEMBL6237464 0.75 FFAR1 (0.55) OPRM1OPRD1FFAR4FFAR1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 OPRM1 518/4885OPRD1 159/4885CETP 4769/4885

“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.