SCHEMBL5544728

SCHEMBL5544728

FC(F)(F)C(F)(F)c1cccc(CCCNc2cc[c]cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA2C P18825 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
CASR P41180 2/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL5543351 0.92 L3MBTL1 (0.40) CYP2D6SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL5538844 0.89 TAAR1 (0.50) CYP2D6SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL5546068 0.85 FFAR1 (0.46) HDAC1FFAR1FFAR4KDM4EL3MBTL1
SCHEMBL5539401 0.83 MTNR1A (0.38) TAAR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5543319 0.80 TAAR1 (0.53) CYP2D6SIGMAR1TP53CYP1A2CYP3A4
SCHEMBL5535549 0.79 TAAR1 (0.50) SLC6A4DRD2SLC6A3TAAR1FFAR1
SCHEMBL5546371 0.78 MTNR1A (0.40) CHRM1CHRM3KCNH2HDAC1CNR1
SCHEMBL5537341 0.77 TAAR1 (0.49) CYP2D6SIGMAR1CYP1A2CYP2C19TAAR1
SCHEMBL5541923 0.77 TAAR1 (0.49) CYP2D6TP53CYP1A2CYP3A4CYP2C19
SCHEMBL5541430 0.77 CYP1A2 (0.46) CYP2D6CYP1A2CYP3A4CYP2C19HTT

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 CYP2D6 728/4885SIGMAR1 234/4885TP53 4494/4885

“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.