SCHEMBL423241

SCHEMBL423241

O=C(C=C1CCN(C(c2ccc(F)cc2)C(F)(F)F)CC1)NCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
SCN5A Q14524 2/20 0.36
KCNH2 Q12809 8/20 0.35
USP30 Q70CQ3 1/20 0.35
NR1I2 O75469 1/20 0.35
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCR3 P51677 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL421773 0.87 CNR1 (0.45) SCN9ASCN5ACNR1
SCHEMBL10157394 0.85 TEAD1 (0.40) SCN9ASCN5AALDH1A1CCR3
SCHEMBL426626 0.74 KCNH2 (0.40) KCNH2ALDH1A1CCR3
SCHEMBL424505 0.72 EPHX1 (0.45) USP30
SCHEMBL15338618 0.70 ALOX15 (0.39)
SCHEMBL426604 0.68 GAA (0.49) ALDH1A1
SCHEMBL426609 0.67 EPHX2 (0.51) ALDH1A1
SCHEMBL423871 0.67 KCNH2 (0.41) KCNH2USP30ALDH1A1CNR1
SCHEMBL7891963 0.66 KCNH2 (0.37) KCNH2USP30ALDH1A1CNR1
SCHEMBL423896 0.65 CNR1 (0.51) CNR1

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 9 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
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-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
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
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 SCN9A 87/4885SCN5A 35/4885KCNH2 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.