SCHEMBL5534890

SCHEMBL5534890

CC1(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 2/20 0.44
GRM2 Q14416 1/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTR7 P34969 1/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
DEGS1 O15121 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
CACNA1G O43497 1/20 0.42
ACHE P22303 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 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
SCHEMBL27875971 0.83 KDM4E (0.56)
SCHEMBL5538491 0.82 KCNH2 (0.44) DRD2PPARDPPARASLC6A2SLC6A4
SCHEMBL5538487 0.82 KCNH2 (0.44) DRD2PPARDPPARASLC6A2SLC6A4
SCHEMBL5545918 0.81 DRD4 (0.50) DRD4DRD2DRD3
SCHEMBL5545975 0.78 CHRNA7 (0.46) DRD4DRD2HTR1ADRD3HTR7
SCHEMBL2056240 0.77 GAA (0.61) AKR1C3DRD4DRD2GRM2HTR1A
SCHEMBL28650484 0.76 CA12 (0.65) AKR1C3DRD4DRD2GRM2HTR1A
SCHEMBL13080288 0.74 DRD2 (0.62) DRD4DRD2GRM2HTR1AHTR2A
SCHEMBL13049822 0.74 DRD4 (0.52) AKR1C3DRD4DRD2GRM2HTR1A
SCHEMBL5540273 0.74 CA2 (0.56) AKR1C3DRD4DRD2CA12CA2

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 AKR1C3 246/4885DRD4 368/4885DRD2 542/4885

“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.