SCHEMBL5547210

SCHEMBL5547210

Oc1ccc(N2CCN(CCc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
ME2 P23368 1/20 0.61
ME1 P48163 1/20 0.61
ME3 Q16798 1/20 0.61
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL5536064 0.92 ME2 (0.58) ADRA1DADRA1AADRA1BME2ME1
SCHEMBL5539612 0.91 SIGMAR1 (0.58) ADRA1DADRA1AADRA1BME2ME1
SCHEMBL5537517 0.90 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BME2ME1
SCHEMBL5541926 0.90 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BME2ME1
SCHEMBL5547207 0.86 ADRA1D (0.65) ADRA1DADRA1AADRA1BME2ME1
SCHEMBL5534999 0.86 DRD4 (0.66) ADRA1DADRA1AADRA1BME2ME1
SCHEMBL5536334 0.83 ME2 (0.66) ME2ME1ME3MAPTALDH1A1
SCHEMBL5540053 0.83 ALDH1A1 (0.50) ADRA1DADRA1AADRA1BSIGMAR1MAPT
SCHEMBL11497577 0.81 HTR1A (0.78) ADRA1DADRA1AADRA1BSIGMAR1MAPT
SCHEMBL2766366 0.81 HTR1A (0.78) ME2ME1ME3SIGMAR1MAPT

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 10 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
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
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 WO 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

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 ADRA1D 320/4885ADRA1A 326/4885ADRA1B 267/4885
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR ADRA1D 69/4885ADRA1A 279/4885ADRA1B 150/4885

“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.