SCHEMBL5544604

SCHEMBL5544604

FC(F)(F)Oc1cccc(C2CC[N]CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
HTR2C P28335 4/20 0.42
ADCYAP1R1 P41586 1/20 0.40
MCHR1 Q99705 1/20 0.39
HCRTR2 O43614 3/20 0.39
MGLL Q99685 3/20 0.39
DHODH Q02127 2/20 0.38
GRIN2B Q13224 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
KCNH2 Q12809 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL25046792 0.85 HTR2C (0.45) NOTUMHTR2CHCRTR2MGLL
SCHEMBL14846072 0.81 HTR2C (0.42) NOTUMHTR2CADCYAP1R1HCRTR2MGLL
SCHEMBL4943023 0.81 HTR2C (0.65) HTR2CPIM1PIM2
SCHEMBL15937573 0.81 HTR2C (0.42) NOTUMHTR2CADCYAP1R1HCRTR2MGLL
SCHEMBL22815964 0.81 PIM1 (0.43) NOTUMHTR2CHCRTR2MGLLDHODH
SCHEMBL2302374 0.80 L3MBTL1 (0.42) HTR2CDHODHGRIN2B
SCHEMBL14830660 0.80 MGLL (0.44) NOTUMHTR2CADCYAP1R1HCRTR2MGLL
SCHEMBL30228465 0.79 MAP4K1 (0.51) NOTUMHTR2CMCHR1HCRTR2
SCHEMBL18656539 0.79 MAP4K1 (0.51) NOTUMHTR2CMCHR1HCRTR2
SCHEMBL1366191 0.79 HTR2C (0.66) HTR2C

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 NOTUM 3827/4885HTR2C 2910/4885ADCYAP1R1 4751/4885

“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.