SCHEMBL1677083

SCHEMBL1677083

O=C1c2ccccc2C(=O)N1OC1CCN(C2(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.46
CHRM5 P08912 3/20 0.41
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
MMP13 P45452 2/20 0.37
MMP2 P08253 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
OPRK1 P41145 2/20 0.35
OPRM1 P35372 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34

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 0.78 SLC6A4 (0.45) SLC6A9SLC6A4SLC6A3BACE1
SCHEMBL1677044 0.78 SLC6A4 (0.48) SLC6A9SLC6A4SLC6A3CTSDBACE1
SCHEMBL1677022 0.77 MEN1 (0.55) SCN9AMMP13MMP2MEN1KMT2A
SCHEMBL1677235 0.75 SLC6A4 (0.60) SLC6A9SLC6A4SLC6A3
SCHEMBL1677157 0.75 OPRM1 (0.43) CHRM5KCNH2SCN5ASCN9AMMP13
SCHEMBL26931611 0.71 GAA (0.46) MEN1KMT2AOPRM1MAPT
SCHEMBL30728974 0.71 GAA (0.46) MEN1KMT2AOPRM1MAPT
SCHEMBL15452482 0.69 GAA (0.39) MEN1KMT2AOPRM1MAPT
SCHEMBL9388337 0.69 ACHE (0.53) CHRM5KCNH2SLC6A3MEN1KMT2A
SCHEMBL1677030 0.68 EPHX2 (0.53)

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 SLC6A9 1665/4885CHRM5 366/4885SLC6A4 838/4885

“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.