SCHEMBL5544276

SCHEMBL5544276

Oc1ccc(N2CCN(CCCCCc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.78
HTR7 P34969 2/20 0.71
OPRM1 P35372 1/20 0.65
DRD4 P21917 1/20 0.64
KCNH2 Q12809 1/20 0.64
HTR1A P08908 1/20 0.60
DRD2 P14416 1/20 0.60
CCR3 P51677 1/20 0.59

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
SCHEMBL5535823 1.00 SIGMAR1 (0.78) SIGMAR1HTR7OPRM1DRD4KCNH2
SCHEMBL5537398 0.99 SIGMAR1 (0.80) SIGMAR1HTR7OPRM1DRD4KCNH2
SCHEMBL5539548 0.94 SIGMAR1 (0.79) SIGMAR1HTR7OPRM1DRD4KCNH2
SCHEMBL30671733 0.90 SIGMAR1 (0.97) SIGMAR1HTR7OPRM1KCNH2HTR1A
SCHEMBL2766366 0.88 HTR1A (0.78) SIGMAR1HTR7OPRM1DRD4HTR1A
SCHEMBL30671734 0.88 SIGMAR1 (1.00) SIGMAR1HTR7OPRM1KCNH2HTR1A
SCHEMBL5544273 0.86 SIGMAR1 (0.78) SIGMAR1HTR7KCNH2HTR1ADRD2
SCHEMBL5535816 0.86 SIGMAR1 (0.78) SIGMAR1HTR7KCNH2HTR1ADRD2
SCHEMBL5537393 0.84 SIGMAR1 (0.80) SIGMAR1HTR7OPRM1KCNH2HTR1A
SCHEMBL7718541 0.83 SIGMAR1 (1.00) SIGMAR1HTR7OPRM1KCNH2HTR1A

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 6 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
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 234/4885HTR7 3656/4885OPRM1 518/4885

“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.