SCHEMBL1968536

SCHEMBL1968536

CC(C)(C)OC(=O)Nc1cccc(N2CCNC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
GAA P10253 1/20 0.44
BRD4 O60885 3/20 0.43
CREBBP Q92793 2/20 0.43
CYP17A1 P05093 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HCRTR1 O43613 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HCRTR2 O43614 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL12852515 0.76 HCRTR1 (0.43) DDB1CRBNGAAHCRTR1
SCHEMBL29029431 0.76 HDAC3 (0.56) BRD4CREBBPCYP17A1RXFP1HCRTR1
SCHEMBL1112019 0.76 MAPT (0.46) GAABRD4CYP17A1RXFP1HCRTR1
SCHEMBL13151156 0.74 DDB1 (0.44) DDB1CRBNGAAHCRTR1
SCHEMBL8345130 0.74 GAA (0.42) DDB1CRBNGAABRD4CREBBP
SCHEMBL22570944 0.73 NOTUM (0.50) BRD4CYP17A1RXFP1HCRTR1HDAC3
SCHEMBL23142837 0.73 HCRTR1 (0.45) GAABRD4CREBBPCYP17A1HCRTR1
SCHEMBL16675698 0.73 GPR119 (0.47) BRD4CREBBPCYP17A1HCRTR1HDAC3
SCHEMBL2883293 0.72 ALOX5 (0.53) GAAHCRTR1ATM
SCHEMBL1540031 0.72 MAPT (0.43) GAAHCRTR1HDAC3HDAC1HDAC2

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
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
EP-2334637-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-06-22 EP disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 DDB1 3518/4885CRBN 2871/4885GAA 3871/4885

“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.