SCHEMBL5537808

SCHEMBL5537808

[CH2]c1ccc(N(CCCC)Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.60
NR1H3 Q13133 8/20 0.60
TSHR P16473 2/20 0.51
CYP2C19 P33261 1/20 0.50
CNR2 P34972 4/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
BCHE P06276 1/20 0.40

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
SCHEMBL8000535 0.94 NR1H2 (0.54) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL627791 0.88 TSHR (0.66) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL11529925 0.87 TSHR (0.65) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL12727294 0.85 NR1H2 (0.62) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL6609235 0.84 NR1H2 (0.60) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL22620091 0.84 NR1H2 (0.60) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL8013362 0.83 TSHR (0.75) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL8092493 0.83 TSHR (0.63) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL2058979 0.82 CYP2C19 (0.64) NR1H2NR1H3TSHRCYP2C19CNR2
SCHEMBL220428 0.82 EGFR (0.44) NR1H2NR1H3TSHRCNR2

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 NR1H2 33/4885NR1H3 22/4885TSHR 319/4885

“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.