SCHEMBL419727

SCHEMBL419727

CC(C)(C)OC(=O)C=C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.37
ESR1 P03372 3/20 0.37
GRM5 P41594 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
ADORA1 P30542 2/20 0.33
ELANE P08246 2/20 0.33
EPHX1 P07099 2/20 0.32
EPHX2 P34913 2/20 0.32
NR1H2 P55055 2/20 0.32
USP2 O75604 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL14419067 0.83 USP2 (0.49) ESR2GRM5SMN1; SMN2RECQLADORA1
SCHEMBL1931528 0.78 ELANE (0.38) ESR2SMN1; SMN2ELANEUSP2
SCHEMBL424872 0.77 NPC1 (0.42) ESR2ESR1EPHX1EPHX2
SCHEMBL7299181 0.75 ELANE (0.36) ESR2ELANE
SCHEMBL1931297 0.75 ELANE (0.36) ESR2ELANE
SCHEMBL106354 0.74 USP2 (0.46) ESR2GRM5SMN1; SMN2ADORA1EPHX1
SCHEMBL7308248 0.73 ELANE (0.35) ELANE
SCHEMBL6974068 0.73 HRH3 (0.39) ESR2ELANEHRH3
SCHEMBL15628142 0.72 HK2 (0.39) ESR2ELANE
SCHEMBL693172 0.72 USP2 (0.55) SMN1; SMN2RECQLEPHX1EPHX2NR1H2

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 ESR2 2620/4885ESR1 2302/4885GRM5 405/4885

“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.