SCHEMBL5543578

SCHEMBL5543578

CC(=O)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.88
FAAH O00519 2/20 0.66
RORC P51449 1/20 0.65
KDR P35968 1/20 0.64
CYP2D6 P10635 1/20 0.62
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ATM Q13315 1/20 0.59
CHKA P35790 1/20 0.57
CHRM1 P11229 1/20 0.57
HTR2A P28223 1/20 0.57
MCHR1 Q99705 1/20 0.57
MGLL Q99685 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LTA4H P09960 1/20 0.55
ALDH1A1 P00352 2/20 0.55

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
SCHEMBL1943497 0.90 HRH3 (0.75) HRH3FAAHCYP2D6KMT2AMEN1
SCHEMBL2235689 0.87 FAAH (0.69) HRH3FAAHKMT2AMEN1CHKA
SCHEMBL22418955 0.86 HRH3 (0.85) HRH3FAAHRORCKDRCYP2D6
SCHEMBL6771405 0.84 HRH3 (0.68) HRH3CYP2D6KMT2ALMNASMN1; SMN2
SCHEMBL5543569 0.84 FAAH (0.66) HRH3FAAHKMT2AMEN1CHKA
SCHEMBL7650588 0.84 FAAH (0.68) HRH3FAAHCYP2D6KMT2AMEN1
SCHEMBL321890 0.82 HRH3 (0.78) HRH3RORCCYP2D6KMT2AMEN1
SCHEMBL8122521 0.82 HRH3 (0.78) HRH3RORCCYP2D6KMT2AMEN1
SCHEMBL29056068 0.82 HRH3 (0.78) HRH3RORCCYP2D6KMT2AMEN1
SCHEMBL3239820 0.82 HRH3 (0.78) HRH3FAAHRORCCYP2D6KMT2A

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 HRH3 420/4885FAAH 4363/4885RORC 19/4885

“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.