SCHEMBL13281153

SCHEMBL13281153

O=[N+]([O-])c1cn(CC[C@@H](O)COc2ccc(OC3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc2)c(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
KCNH2 Q12809 6/20 0.42
CHRM1 P11229 1/20 0.38
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ACACB O00763 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.36
EPHX2 P34913 1/20 0.35
CHRM4 P08173 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL13281394 1.00 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL13281155 1.00 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL13281047 1.00 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL13281044 1.00 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL13281818 0.96 PTGS1 (0.51) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL13281593 0.96 PTGS1 (0.51) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL15441578 0.96 PTGS1 (0.51) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL13281035 0.92 PTGS1 (0.46) PTGS1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL13281032 0.92 PTGS1 (0.46) PTGS1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL13281571 0.92 PTGS1 (0.46) PTGS1SLC6A2SLC6A4KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
EP-2697232-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B][1, 3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-19 EP disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 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 (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-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR PTGS1 1432/4885SLC6A2 2508/4885SLC6A4 2000/4885

“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.