SCHEMBL5542453

SCHEMBL5542453

CN1CC=C(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.47
SLC6A3 Q01959 12/20 0.47
SLC6A4 P31645 11/20 0.47
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
KIF11 P52732 2/20 0.42
MAPK1 P28482 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
GNAI1 P63096 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
SCHEMBL5542448 0.81 CFTR (0.41) SLC6A2SLC6A3SLC6A4CFTRGOPC
SCHEMBL9373678 0.79 CHRM2 (0.32) SLC6A2SLC6A3SLC6A4
SCHEMBL8516623 0.72 CFTR (0.50) SLC6A2SLC6A3CFTRGOPCLMNA
SCHEMBL9529438 0.70 CHRM2 (0.37)
SCHEMBL11618119 0.69 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4KIF11MAPK1
SCHEMBL5547576 0.69 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4KIF11MAPK1
SCHEMBL25778494 0.67 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4KIF11MAPK1
SCHEMBL30487778 0.66 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4LMNACYP3A4
SCHEMBL13783154 0.64 CFTR (0.42) SLC6A2SLC6A3CFTRGOPCLMNA
SCHEMBL10814246 0.64 DRD1 (0.54) MAPK1CYP1A2CYP3A4CYP2D6NFKB1

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 SLC6A2 3396/4885SLC6A3 1944/4885SLC6A4 4191/4885

“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.