SCHEMBL5541971

SCHEMBL5541971

[CH2]CCN(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
CETP P11597 1/20 0.40
IDO1 P14902 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RORC P51449 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5538898 0.86 CETP (0.42) HTR7CETPIDO1HTR2AHTR2C
SCHEMBL19265466 0.85 HTR7 (0.43) HTR7CETPHTR2AHTR2CHTR2B
SCHEMBL4617153 0.81 CETP (0.43) CETPHTR2AHTR2CHTR2BTSHR
SCHEMBL5539145 0.79 KIF11 (0.41) TSHRSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL7981775 0.78 HTR7 (0.52) HTR7CETPMEN1KMT2ATP53
SCHEMBL5537976 0.77 HTR7 (0.48) HTR7CETPIDO1KMT2ASLC6A2
SCHEMBL5541938 0.76 CETP (0.44) CETP
SCHEMBL171829 0.76 TSHR (0.48) CETPHTR2AHTR2CHTR2BTSHR
SCHEMBL30901511 0.76 TSHR (0.48) CETPHTR2AHTR2CHTR2BTSHR
SCHEMBL19502516 0.76 ALDH1A1 (0.41) HTR7CETPMEN1KMT2ATP53

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 HTR7 3656/4885CETP 4769/4885IDO1 3181/4885

“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.