SCHEMBL5538867

SCHEMBL5538867

O=C(OCCCCCc1ccccc1)N1CCC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 2/20 0.46
OPRM1 P35372 2/20 0.46
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
HRH1 P35367 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
HTR7 P34969 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
FKBP1A P62942 2/20 0.43
GRIN2B Q13224 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5536072 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL5542274 0.99 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL5546208 0.95 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL7515241 0.95 HTR2A (0.49) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL7516751 0.95 HTR2A (0.49) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL7509584 0.94 HTR2A (0.50) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL5545640 0.90 GRIN2B (0.52) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL7509167 0.90 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL7222152 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A
SCHEMBL7512379 0.84 GRIN2B (0.56) ALDH1A1SMN1; SMN2HTR2AOPRM1HTR1A

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 ALDH1A1 355/4885SMN1; SMN2 3985/4885HTR2A 4120/4885

“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.