SCHEMBL5540671

SCHEMBL5540671

CC(CCCN(C=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
RIPK1 Q13546 1/20 0.39
SIGMAR1 Q99720 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
AOC3 Q16853 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5539691 0.81 AOC3 (0.47) HTR2ATAAR1AOC3TSHRMEN1
SCHEMBL9224993 0.80 AOC3 (0.41) HTR2ATAAR1AOC3TSHRMEN1
SCHEMBL5542840 0.78 HTR2A (0.47) HTR2AHRH1RIPK1SIGMAR1TAAR1
SCHEMBL7272839 0.78 HDAC6 (0.44) TSHRMEN1KMT2A
SCHEMBL5540666 0.77 HTR2A (0.39) HTR2AHRH1RIPK1SIGMAR1TAAR1
SCHEMBL5013428 0.76 KCNH2 (0.46) SIGMAR1
SCHEMBL5540861 0.76 SIGMAR1 (0.47) SIGMAR1AOC3
SCHEMBL11733732 0.75 KCNH2 (0.49) SIGMAR1
SCHEMBL14855325 0.75 KCNH2 (0.49) SIGMAR1
SCHEMBL9561425 0.75 KCNH2 (0.53) MEN1KMT2A

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 HTR2A 4120/4885HRH1 668/4885RIPK1 1770/4885

“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.