SCHEMBL5534989

SCHEMBL5534989

O=CCCc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.44
DRD2 P14416 4/20 0.44
GRIN2B Q13224 2/20 0.42
GRIN1 Q05586 1/20 0.42
SLC6A2 P23975 6/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC6A4 P31645 5/20 0.38
CYP2D6 P10635 3/20 0.38
KCNH2 Q12809 3/20 0.38
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
SCN9A Q15858 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HCRTR1 O43613 1/20 0.36

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
SCHEMBL27442114 0.83 SLC6A3 (0.47) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL3414109 0.82 GRIN2B (0.43) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL5542271 0.82 DRD2 (0.41) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL1046197 0.80 SLC6A3 (0.47) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2097495 0.80 SLC6A3 (0.42) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL8506528 0.80 SLC6A3 (0.46) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL5539433 0.80 DRD2 (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL5536287 0.78 HDAC3 (0.48) SLC6A3DRD2GRIN2BGRIN1HDAC3
SCHEMBL5541626 0.78 SLC6A3 (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL3939396 0.78 EPHX2 (0.39) SLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104703980-B Belong to the orexin receptor antagonists of [adjacent double (miscellaneous) aryl] [base of 2 (double (miscellaneous) aryl) pyrrolidines 1] ketone derivatives 埃科特莱茵药品有限公司 2017-09-22 CN disclosed
CN-104703980-A Orexin receptor antagonists which are [ortho bi (hetero )aryl]-[2-(meta bi (hetero )aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD 2015-06-10 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 SLC6A3 1944/4885DRD2 542/4885GRIN2B 504/4885

“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.