SCHEMBL5541704

SCHEMBL5541704

[CH2]CN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
TEAD1 P28347 1/20 0.50
LIPE Q05469 1/20 0.48
MMP13 P45452 4/20 0.46
MMP12 P39900 1/20 0.46
EPHX2 P34913 2/20 0.46
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
MMP2 P08253 3/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRKAA2 P54646 1/20 0.41

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
SCHEMBL5537269 0.90 ADRB2 (0.52) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL5545720 0.86 ADRB2 (0.49) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL5537589 0.85 ADRB2 (0.48) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL5543304 0.84 ADRB2 (0.47) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL5548401 0.83 TP53 (0.56) EPHX2HRH3CARM1PRMT6
SCHEMBL5536138 0.83 TEAD1 (0.53) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL5543690 0.82 ADRB2 (0.54) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL10608877 0.80 HRH3 (0.64) ADRB2HRH3
SCHEMBL11938942 0.80 SLC6A5 (0.53) ADRB2TEAD1LIPEMMP13MMP12
SCHEMBL29090107 0.80 TEAD1 (0.59) ADRB2TEAD1LIPEMMP13MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
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
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 ADRB2 149/4885TEAD1 3059/4885LIPE 4705/4885

“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.