SCHEMBL5543014

SCHEMBL5543014

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CETP P11597 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL5537976 0.85 HTR7 (0.48) HTR7TAAR1ACHENPC1RAB9A
SCHEMBL5542032 0.82 HTR7 (0.52) HTR7TAAR1ACHENPC1RAB9A
SCHEMBL9809614 0.82 HTR7 (0.44) HTR7TAAR1ACHENPC1RAB9A
SCHEMBL20749451 0.79 HTR7 (0.41) HTR7TAAR1ACHENPC1RAB9A
SCHEMBL27657865 0.78 HTR7 (0.49) HTR7TAAR1ACHENPC1RAB9A
SCHEMBL20893265 0.77 CETP (0.43) HTR7TAAR1SLC6A2SLC6A4CETP
SCHEMBL3835181 0.76 KMT2A (0.55) TAAR1ACHENPC1RAB9AKMT2A
SCHEMBL5548253 0.76 TAAR1 (0.50) HTR7TAAR1SLC6A2SLC6A4AOC3
SCHEMBL9809626 0.76 MEN1 (0.48) HTR7TAAR1KMT2ACETP
SCHEMBL29955310 0.76 HTR7 (0.44) HTR7TAAR1ACHENPC1RAB9A

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 3656/4885TAAR1 364/4885ACHE 4670/4885

“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.