SCHEMBL5546420

SCHEMBL5546420

Brc1ccc(CCCNc2cc[c]cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
SIGMAR1 Q99720 1/20 0.41
AGER Q15109 1/20 0.39
HTR2A P28223 2/20 0.38
HDAC3 O15379 1/20 0.37
CHRM1 P11229 1/20 0.37
MCHR1 Q99705 1/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL5543154 0.89 TAAR1 (0.50) TAAR1AGERHTR2AMEN1MAPT
SCHEMBL5539316 0.84 TAAR1 (0.44) TAAR1HTR2ACHRM1MCHR1MAPT
SCHEMBL5542054 0.83 SIGMAR1 (0.42) SIGMAR1HTR2ACHRM1MCHR1MAPT
SCHEMBL5537278 0.83 CHRM1 (0.52) TAAR1HTR2AHDAC3CHRM1MCHR1
SCHEMBL5545933 0.83 HPGD (0.42) MAPTKMT2ANPC1GAARAB9A
SCHEMBL5536505 0.83 MAPT (0.49) TAAR1HTR2ACHRM1MCHR1MEN1
SCHEMBL5548437 0.83 L3MBTL1 (0.40) TAAR1SIGMAR1HTR2ACHRM1MCHR1
SCHEMBL4827710 0.82 L3MBTL1 (0.55) SIGMAR1MEN1MAPTKMT2AL3MBTL1
SCHEMBL5536321 0.81 SPHK1 (0.46) HTR2ACHRM1ALDH1A1
SCHEMBL5537341 0.81 TAAR1 (0.49) TAAR1SIGMAR1MAPTL3MBTL1CNR1

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 364/4885SIGMAR1 234/4885AGER 3901/4885

“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.