SCHEMBL426911

SCHEMBL426911

O=C1CCN(C2(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.45
OPRM1 P35372 4/20 0.45
KCNH2 Q12809 2/20 0.45
HSD11B1 P28845 3/20 0.40
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP2B6 P20813 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PRCP P42785 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRD1 P41143 1/20 0.36
DAO P14920 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
SCHEMBL7493886 0.81 SIGMAR1 (0.56) SLC6A9OPRM1KCNH2HSD11B1GRIN1
SCHEMBL23293520 0.76 SLC6A9 (0.43) SLC6A9OPRM1KCNH2GRIN1GRIN2A
Hydrochloric Acid SCHEMBL422537 0.76 SLC6A9 (0.36) SLC6A9OPRM1KCNH2HSD11B1GRIN1
SCHEMBL7490969 0.75 SIGMAR1 (0.68) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL26436535 0.74 GRIN1 (0.67) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL23595712 0.74 SLC6A3 (0.61) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL7095191 0.74 GRIN1 (0.71) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL7489860 0.74 GRIN1 (0.71) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL7493298 0.74 GRIN1 (0.71) SLC6A9OPRM1KCNH2GRIN1GRIN2A
SCHEMBL539376 0.73 HSD11B1 (0.36) SLC6A9OPRM1KCNH2HSD11B1GRIN2B

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-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
EP-2414332-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010114181-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-07 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B SLC6A9 738/4885OPRM1 421/4885KCNH2 72/4885

“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.