SCHEMBL5543670

SCHEMBL5543670

FC(F)(F)Oc1ccc(N2CCC(N3CCNCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ LTA4H P09960 4/20 0.43
▸ CHRM4 P08173 3/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MBTD1 Q05BQ5 1/20 0.42
▸ KHK P50053 2/20 0.41
▸ SCN4A P35499 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ LCAT P04180 1/20 0.41
▸ KCNA5 P22460 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ EPHX1 P07099 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
SCHEMBL59331 0.85 ADRB1 (0.61) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL28885740 0.84 ADRB1 (0.59) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL14341118 0.81 ADRB1 (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL5233334 0.80 ADRB1 (0.54) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL23339691 0.76 L3MBTL3 (0.58) L3MBTL3L3MBTL1HTR3EHTR3BADRB1
SCHEMBL18311444 0.76 ADRB1 (0.68) L3MBTL3L3MBTL1HTR3EHTR3BADRB1
SCHEMBL22174801 0.76 L3MBTL1 (0.58) L3MBTL3L3MBTL1HTR3EHTR3BADRB1
SCHEMBL22816541 0.76 FFAR4 (0.47) CHRM4FFAR4LCATKCNA5
SCHEMBL1244796 0.76 FFAR4 (0.50) CHRM4FFAR4LCATKCNA5LIPE
SCHEMBL435084 0.76 EPHX2 (0.55) CHRM4FFAR4LCATKCNA5

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 L3MBTL3 1327/4885L3MBTL1 1931/4885HTR3E 3949/4885

“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.

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