SCHEMBL5545186

SCHEMBL5545186

CC1(CN2CCN(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC2A1 P11166 2/20 0.36
FASN P49327 2/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TACR3 P29371 2/20 0.34
SLC2A2 P11168 1/20 0.34
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
HTR2C P28335 1/20 0.33
MCHR1 Q99705 1/20 0.33
CCR1 P32246 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL5537448 0.90 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537453 0.90 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535633 0.85 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535628 0.85 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537139 0.83 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537142 0.83 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5534653 0.83 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5534657 0.83 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5543181 0.82 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5543170 0.82 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2

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 KCNH2 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.