SCHEMBL5543697

SCHEMBL5543697

Fc1ccccc1CCNc1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
GPR84 Q9NQS5 1/20 0.47
MPO P05164 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.44
CNR1 P21554 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL5539839 0.90 MPO (0.49) TAAR1GPR84MPOMEN1KMT2A
SCHEMBL5537291 0.86 TAAR1 (0.40) TAAR1GPR84MPOMEN1KMT2A
SCHEMBL3903026 0.85 TAAR1 (0.62) TAAR1GPR84MPOMEN1KMT2A
SCHEMBL5538986 0.84 KMT2A (0.64) MEN1KMT2ASMN1; SMN2HPGDCYP1A2
SCHEMBL5540701 0.81 TAAR1 (0.53) TAAR1L3MBTL1ALDH1A1
SCHEMBL5544074 0.81 TAAR1 (0.53) TAAR1GPR84MEN1KMT2ACNR1
SCHEMBL5536501 0.81 TAAR1 (0.44) TAAR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5543255 0.79 IDO1 (0.40) SMN1; SMN2
SCHEMBL3913487 0.79 TAAR1 (0.55) TAAR1GPR84MPOMEN1KMT2A
SCHEMBL9114164 0.79 TAAR1 (0.55) TAAR1GPR84MPOMEN1KMT2A

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 318/4885MPO 3167/4885

“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.