SCHEMBL423871

SCHEMBL423871

CC(C)(c1cccc(C(F)(F)F)c1)N1CCC(=CC(=O)NCC2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
CACNA1I Q9P0X4 2/20 0.41
NPY2R P49146 1/20 0.41
PTGER4 P35408 1/20 0.40
USP30 Q70CQ3 1/20 0.40
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CCR2 P41597 1/20 0.39
PTGIR P43119 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TGFBR1 P36897 1/20 0.38
P2RX7 Q99572 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
UBE2M P61081 1/20 0.37
KMT2A Q03164 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MCHR1 Q99705 1/20 0.37
LDHA P00338 1/20 0.37

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
SCHEMBL423896 0.80 CNR1 (0.51) CNR1MEN1KMT2A
SCHEMBL426604 0.73 GAA (0.49) ALDH1A1MEN1KMT2A
SCHEMBL15338618 0.71 ALOX15 (0.39) CACNA1IMEN1KMT2A
SCHEMBL422792 0.71 ALOX5 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL424505 0.70 EPHX1 (0.45) USP30
SCHEMBL7891963 0.69 KCNH2 (0.37) KCNH2CACNA1IUSP30ALDH1A1TGFBR1
SCHEMBL423241 0.67 SCN9A (0.36) KCNH2USP30ALDH1A1CNR1
SCHEMBL10157394 0.66 TEAD1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL421773 0.65 CNR1 (0.45) CNR1MEN1KMT2A
SCHEMBL426609 0.65 EPHX2 (0.51) ALDH1A1MEN1KMT2A

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 11 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
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
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 KCNH2 72/4885CACNA1I 5/4885NPY2R 1738/4885

“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.