SCHEMBL5540356

SCHEMBL5540356

Cc1cc(C)c(N2CCC(OC=O)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SSTR2 P30874 6/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
KCNH2 Q12809 4/20 0.33
MAPK1 P28482 1/20 0.32
EBP Q15125 1/20 0.30
DHCR7 Q9UBM7 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5538573 0.80 ALDH1A1 (0.46) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL3436736 0.78 OPRK1 (0.41)
SCHEMBL5540349 0.77 MAPT (0.42) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL28015150 0.77 NPSR1 (0.50) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL5540472 0.75 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2FFAR1
SCHEMBL5540929 0.74 NOTUM (0.51) ALDH1A1MAPTSMN1; SMN2FFAR4KCNH2
SCHEMBL3436600 0.73 ADRB1 (0.47) ALDH1A1HTTSMN1; SMN2FFAR1MAPK1
SCHEMBL3436537 0.73 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20106885 0.72 ALDH1A1 (0.60) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL3436737 0.71 OPRK1 (0.42)

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 355/4885POLB 1637/4885MAPT 4117/4885

“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.