SCHEMBL5539145

SCHEMBL5539145

[CH2]CCN(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PYCR1 P32322 1/20 0.38
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
DHFR P00374 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL5539693 0.89 KIF11 (0.39) KIF11NR1H2NR1H3PYCR1SLC6A4
SCHEMBL2099195 0.84 KIF11 (0.43) KIF11NR1H2NR1H3PYCR1SLC6A4
SCHEMBL20284303 0.82 KIF11 (0.42) KIF11NR1H2NR1H3PYCR1SLC6A4
SCHEMBL15362902 0.79 MAPT (0.51) KIF11NR1H2NR1H3
SCHEMBL5541971 0.79 HTR7 (0.42) SLC6A4SLC6A2SLC6A3TAAR1ALDH1A1
SCHEMBL13261444 0.78 MAPT (0.46) KIF11NR1H2NR1H3SLC6A4SLC6A2
SCHEMBL5542550 0.78 PRMT1 (0.48) KIF11NR1H2NR1H3SLC6A4SLC6A2
SCHEMBL5540394 0.78 TAAR1 (0.42) SLC6A4SLC6A2SLC6A3TAAR1ALDH1A1
SCHEMBL4616383 0.78 KIF11 (0.44) KIF11NR1H2NR1H3PYCR1SLC6A4
SCHEMBL19865673 0.77 MAPT (0.45) KIF11NR1H2NR1H3

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 KIF11 3946/4885NR1H2 33/4885NR1H3 22/4885

“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.