SCHEMBL5540701

SCHEMBL5540701

Brc1ccccc1CCNc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NLRP3 Q96P20 1/20 0.33
RIPK1 Q13546 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL5537697 0.90 TAAR1 (0.46) TAAR1L3MBTL1ALDH1A1MAPTIDO1
SCHEMBL5546061 0.82 RIPK1 (0.44) TAAR1L3MBTL1ALDH1A1MAPTIDO1
SCHEMBL5543697 0.81 TAAR1 (0.55) TAAR1L3MBTL1ALDH1A1
SCHEMBL5544074 0.79 TAAR1 (0.53) TAAR1L3MBTL1IDO1
SCHEMBL5536501 0.79 TAAR1 (0.44) TAAR1L3MBTL1ALDH1A1MAPT
SCHEMBL5542407 0.77 CNR1 (0.46) L3MBTL1ALDH1A1MAPTIDO1POLB
SCHEMBL22392967 0.75 ALDH1A1 (0.57) TAAR1L3MBTL1ALDH1A1MAPTIDO1
SCHEMBL5537291 0.75 TAAR1 (0.40) TAAR1L3MBTL1ALDH1A1RIPK1
SCHEMBL5542055 0.74 CNR1 (0.36) TAAR1L3MBTL1ALDH1A1MAPT
SCHEMBL5544020 0.74 L3MBTL1 (0.70) TAAR1L3MBTL1ALDH1A1MAPTIDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 364/4885L3MBTL1 1931/4885ALDH1A1 355/4885

“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.