SCHEMBL1677235

SCHEMBL1677235

OC1CCN(C2(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.60
SLC6A3 Q01959 6/20 0.56
SLC6A9 P48067 1/20 0.44
HSD11B1 P28845 1/20 0.44
EPHX2 P34913 3/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
LIPE Q05469 4/20 0.40
SLC6A2 P23975 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
SCHEMBL7961313 0.83 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A9EPHX2GRIN1
SCHEMBL1677044 0.83 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A9GRIN1GRIN2A
SCHEMBL22817125 0.77 SLC6A4 (0.65) SLC6A4SLC6A3HSD11B1EPHX2LIPE
SCHEMBL8350802 0.76 KMT2A (0.41) SLC6A4SLC6A3SLC6A9HSD11B1GRIN1
SCHEMBL19613327 0.76 SIGMAR1 (0.55) SLC6A4SLC6A3SLC6A9GRIN1GRIN2A
SCHEMBL22816521 0.76 SLC6A4 (0.63) SLC6A4SLC6A3HSD11B1EPHX2LIPE
SCHEMBL3516539 0.75 SLC6A4 (1.00) SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL1244796 0.75 FFAR4 (0.50) SLC6A4SLC6A3LIPE
SCHEMBL1677083 0.75 SLC6A9 (0.46) SLC6A4SLC6A3SLC6A9
SCHEMBL1677030 0.73 EPHX2 (0.53) EPHX2LIPE

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
US-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO 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-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I SLC6A4 838/4885SLC6A3 990/4885SLC6A9 1665/4885

“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.