SCHEMBL5543476

SCHEMBL5543476

[CH2]CN1CCN(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.48
MGLL Q99685 2/20 0.48
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
ENPP2 Q13822 5/20 0.42
ATXN2 Q99700 2/20 0.42
HTR2A P28223 1/20 0.42
ABAT P80404 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 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
SCHEMBL5541343 0.90 TACR1 (0.47) TACR1MGLLCYP2D6TSHRALDH1A1
SCHEMBL5535703 0.87 TACR1 (0.48) TACR1MGLLCYP2D6TSHRALDH1A1
SCHEMBL5540527 0.85 TACR1 (0.47) TACR1MGLLCYP2D6TSHRALDH1A1
SCHEMBL543132 0.83 TACR1 (0.49) TACR1MGLLCYP2D6TSHRALDH1A1
SCHEMBL543034 0.81 TACR1 (0.47) TACR1CYP2D6TSHRENPP2ATXN2
SCHEMBL5546101 0.79 LMNA (0.51) ALDH1A1LMNAMAPK1RAB9AMEN1
SCHEMBL5540076 0.77 KMT2A (0.49) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL5543639 0.77 ENPP2 (0.46) ENPP2ATXN2SIGMAR1HPGD
SCHEMBL5544798 0.77 KMT2A (0.48) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL543284 0.76 ENPP2 (0.47) TACR1MGLLCYP2D6TSHRALDH1A1

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 TACR1 1465/4885MGLL 4717/4885CYP2D6 728/4885

“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.