SCHEMBL5544074

SCHEMBL5544074

Clc1ccccc1CCNc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
GPR84 Q9NQS5 1/20 0.47
CNR1 P21554 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.41
NRP1 O14786 1/20 0.40
CHRM2 P08172 1/20 0.40
FFAR1 O14842 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL5546495 0.90 TAAR1 (0.46) TAAR1GPR84CNR1RAB9AHIF1A
SCHEMBL5536851 0.87 TAAR1 (0.47) TAAR1GPR84HDAC3HDAC1HDAC2
SCHEMBL3908446 0.85 TAAR1 (0.60) TAAR1GPR84CNR1HDAC3HDAC1
SCHEMBL955404 0.82 RAB9A (0.54) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL5543697 0.81 TAAR1 (0.55) TAAR1GPR84CNR1MEN1KMT2A
SCHEMBL5541012 0.80 GPR84 (0.50) TAAR1GPR84CNR1MEN1KMT2A
SCHEMBL5540701 0.79 TAAR1 (0.53) TAAR1L3MBTL1IDO1
SCHEMBL26268659 0.79 TAAR1 (0.53) TAAR1GPR84CNR1HDAC3HDAC1
SCHEMBL26268493 0.79 TAAR1 (0.62) TAAR1GPR84CNR1HDAC3HDAC1
SCHEMBL5536501 0.79 TAAR1 (0.44) TAAR1MEN1KMT2ACHRM2L3MBTL1

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 364/4885GPR84 318/4885CNR1 857/4885

“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.