SCHEMBL5542882

SCHEMBL5542882

CCCCCCN1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
GAA P10253 1/20 0.68
KCNH2 Q12809 3/20 0.57
LMNA P02545 1/20 0.54
DRD2 P14416 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
DRD3 P35462 1/20 0.49
PLA2G2A P14555 3/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL5542026 0.98 KDM4E (0.65) KDM4EGAAKCNH2LMNADRD2
SCHEMBL5539804 0.93 KDM4E (0.58) KDM4EGAAKCNH2LMNADRD2
SCHEMBL4576289 0.86 DRD2 (0.68) KDM4EGAAKCNH2DRD2SIGMAR1
SCHEMBL27695348 0.83 KCNH2 (0.83) KDM4EGAAKCNH2LMNADRD2
SCHEMBL15920946 0.83 KCNH2 (0.83) KDM4EGAAKCNH2LMNADRD2
SCHEMBL7594226 0.81 KCNH2 (0.79) KDM4EGAAKCNH2LMNADRD2
SCHEMBL14852368 0.81 KDM4E (0.72) KDM4EGAAKCNH2LMNADRD2
SCHEMBL10564975 0.81 KDM4E (0.72) KDM4EGAAKCNH2LMNADRD2
SCHEMBL13321082 0.80 KDM4E (0.71) KDM4EGAAKCNH2LMNADRD2
SCHEMBL4576516 0.79 DRD2 (0.46) KDM4EGAAKCNH2DRD2SIGMAR1

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 KDM4E 4854/4885GAA 4165/4885KCNH2 3503/4885

“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.