SCHEMBL5540644

SCHEMBL5540644

O=[C]OCCCCc1ccc2ccoc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
HTR1B P28222 5/20 0.40
MRGPRX4 Q96LA9 1/20 0.36
KCNA3 P22001 3/20 0.35
KCNA5 P22460 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 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
SCHEMBL5541406 0.84 HTR1B (0.41) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL2096297 0.81 CHRM2 (0.50) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL2097208 0.79 CHRM2 (0.57) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL2095702 0.77 CHRM2 (0.47) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL5543673 0.76 CYP1A2 (0.51) CYP1A2CYP2A6
SCHEMBL5541617 0.75 HDAC1 (0.51) CYP1A2CYP2A6
SCHEMBL5546625 0.75 HDAC1 (0.51) CYP1A2CYP2A6
SCHEMBL2090147 0.73 CHRM2 (0.55) CHRM2CHRM1CHRM3HTR1BMRGPRX4
SCHEMBL3797578 0.73 CHRM2 (0.58) CHRM2CHRM1CHRM3HTR1BMAPK1
SCHEMBL25240905 0.73 CHRM2 (0.62) CHRM2CHRM1CHRM3HTR1BMRGPRX4

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-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 CHRM2 862/4885CHRM1 463/4885CHRM3 597/4885

“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.