SCHEMBL5544273

SCHEMBL5544273

[O]c1ccc(N2CCN(CCCCCc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.78
KCNH2 Q12809 1/20 0.64
HTR1A P08908 1/20 0.60
DRD2 P14416 1/20 0.60
HTR7 P34969 1/20 0.60
CCR3 P51677 1/20 0.59
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL5535816 1.00 SIGMAR1 (0.78) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL5537393 0.99 SIGMAR1 (0.80) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL5539541 0.94 SIGMAR1 (0.79) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL30671733 0.90 SIGMAR1 (0.97) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL30671734 0.88 SIGMAR1 (1.00) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL5535823 0.86 SIGMAR1 (0.78) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL5544276 0.86 SIGMAR1 (0.78) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL5537398 0.84 SIGMAR1 (0.80) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL7718541 0.83 SIGMAR1 (1.00) SIGMAR1KCNH2HTR1ADRD2HTR7
SCHEMBL5541433 0.83 SIGMAR1 (0.78) SIGMAR1KCNH2HTR1ADRD2HTR7

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 SIGMAR1 234/4885KCNH2 3503/4885HTR1A 4141/4885

“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.