SCHEMBL5540528

SCHEMBL5540528

Oc1ccc(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.69
HTR2C P28335 1/20 0.60
MAPT P10636 3/20 0.55
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL9720819 0.87 DRD4 (0.73) DRD4HTR2CMAPTDRD2DRD3
SCHEMBL5542234 0.87 DRD4 (0.73) DRD4HTR2CMAPTDRD2DRD3
SCHEMBL5540754 0.87 DRD4 (0.73) DRD4HTR2CMAPTDRD2DRD3
SCHEMBL5536775 0.86 DRD4 (0.68) DRD4HTR2CMAPTDRD2DRD3
SCHEMBL5540523 0.84 DRD4 (0.58) DRD4MAPTDRD2DRD3ALDH1A1
SCHEMBL2876563 0.82 DRD4 (1.00) DRD4HTR2CDRD2DRD3SIGMAR1
SCHEMBL5546683 0.82 DRD4 (0.66) DRD4HTR2CMAPTDRD2DRD3
Bromide SCHEMBL11208238 0.81 DRD4 (0.97) DRD4HTR2CDRD2DRD3SIGMAR1
SCHEMBL27903298 0.81 DRD4 (0.73) DRD4HTR2CMAPTDRD2DRD3
SCHEMBL5544114 0.79 MAPT (0.74) DRD4HTR2CMAPTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 DRD4 368/4885HTR2C 2910/4885MAPT 4117/4885

“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.