SCHEMBL5545312

SCHEMBL5545312

Clc1ccc(OC2CCN(c3c[c]ccc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
ACACB O00763 3/20 0.41
EPHX2 P34913 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FFAR1 O14842 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
FPR2 P25090 4/20 0.38
PROKR1 Q8TCW9 4/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL2090413 0.87 FFAR4 (0.47) HRH3ACACBSLC6A2SLC6A3HRH1
SCHEMBL5542537 0.83 LIPE (0.43) ACACBEPHX2FFAR1MMP12MMP13
SCHEMBL5539614 0.83 KCNH2 (0.45) HRH3ACACBEPHX2SLC6A4SLC6A2
SCHEMBL2092037 0.82 ACACB (0.46) HRH3ACACBEPHX2SLC6A4SLC6A2
SCHEMBL5535232 0.81 ACLY (0.36) ACACBEPHX2HRH1CCR3KCNH2
SCHEMBL5542795 0.81 FFAR1 (0.38) HRH3ACACBEPHX2FFAR1MMP12
SCHEMBL6933621 0.78 FFAR4 (0.47) HRH3ACACBFFAR1HRH1FFAR4
SCHEMBL12099463 0.77 HRH3 (0.49) HRH3EPHX2HRH1CCR3KCNH2
SCHEMBL2093394 0.76 MAPT (0.40) HRH3ACACBKCNH2MEN1LMNA
SCHEMBL13279818 0.75 ACACB (0.51) ACACBEPHX2SLC6A4SLC6A2SLC6A3

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 HRH3 420/4885ACACB 1653/4885EPHX2 3662/4885

“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.