SCHEMBL5543319

SCHEMBL5543319

FC(F)(F)c1cccc(CCNc2cc[c]cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
CNR1 P21554 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MIF P14174 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
IDO1 P14902 2/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2C P28335 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5538844 0.91 TAAR1 (0.50) TAAR1CNR1FFAR1FFAR4MIF
SCHEMBL5543351 0.88 L3MBTL1 (0.40) TAAR1CNR1FFAR1FFAR4MIF
SCHEMBL5544937 0.86 FFAR1 (0.58) TAAR1FFAR1FFAR4RXFP1IDO1
SCHEMBL26267917 0.82 TAAR1 (0.53) TAAR1CNR1FFAR1FFAR4MIF
SCHEMBL26267888 0.82 TAAR1 (0.61) TAAR1CNR1FFAR1FFAR4MIF
SCHEMBL5540065 0.81 TAAR1 (0.47) TAAR1CNR1FFAR1MIFIDO1
Hydrochloric Acid SCHEMBL27770501 0.80 TAAR1 (0.62) TAAR1CNR1MIFIDO1HTR2A
SCHEMBL5544728 0.80 CYP2D6 (0.39) TAAR1CNR1FFAR1FFAR4MIF
SCHEMBL5541449 0.80 TAAR1 (0.57) TAAR1CNR1FFAR1HTR2AHTR2B
SCHEMBL5546744 0.78 CNR1 (0.51) CNR1DAO

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 TAAR1 364/4885CNR1 857/4885FFAR1 105/4885

“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.