SCHEMBL5543607

SCHEMBL5543607

CC1(CN2CCN(c3ccccn3)CC2)CO1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.48
GRM2 Q14416 1/20 0.47
HTR1A P08908 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
SCHEMBL5545386 0.82 HTR1A (0.47) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL3867807 0.77 KDM4E (0.64) ALDH1A1KDM4ETDP1MAPTPOLB
SCHEMBL13711971 0.76 KCNH2 (0.71) ALDH1A1POLBKCNH2DRD4HTR1A
SCHEMBL15800694 0.76 PLD1 (0.73) ALDH1A1KDM4EMAPTPOLBKCNH2
SCHEMBL21353591 0.76
SCHEMBL29857922 0.76 PLD1 (0.73) ALDH1A1KDM4EMAPTPOLBKCNH2
SCHEMBL18301489 0.74 KCNH2 (0.64) ALDH1A1KDM4EPOLBKCNH2DRD4
SCHEMBL10053231 0.74 KCNH2 (0.64) ALDH1A1KDM4EMAPTPOLBKCNH2
SCHEMBL5544596 0.74 THRB (0.65) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL23252409 0.73 POLB (0.59) ALDH1A1KDM4ETDP1MAPTPOLB

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 355/4885KDM4E 4854/4885TDP1 4666/4885

“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.