SCHEMBL256735

SCHEMBL256735

CC(C)(C)OC(=O)N1CCc2c(NC(=O)Oc3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.43
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
AR P10275 1/20 0.41
KMT2A Q03164 3/20 0.41
LIPE Q05469 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 2/20 0.38

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
SCHEMBL167429 0.85 TRPV1 (0.47) TRPV1KMT2ALIPENOTUMCYP1A2
SCHEMBL21598440 0.79 UCHL1 (0.44) UCHL1KDM1AHDAC1HDAC6AR
SCHEMBL6942726 0.79 ALDH1A1 (0.49) KMT2AGAAKDM4EALDH1A1GLA
SCHEMBL27438475 0.77 HDAC1 (0.47) UCHL1KDM1AHDAC1HDAC6AR
SCHEMBL30955235 0.77 HDAC1 (0.43) UCHL1KDM1AHDAC1HDAC6AR
SCHEMBL15077833 0.76 ALDH1A1 (0.41) TRPV1KMT2ALIPECYP1A2GAA
SCHEMBL25293336 0.76 UCHL1 (0.44) UCHL1KDM1AHDAC1HDAC6AR
SCHEMBL7428221 0.75 UCHL1 (0.50) UCHL1KDM1AHDAC1HDAC6AR
SCHEMBL30832851 0.75 UCHL1 (0.50) UCHL1KDM1AHDAC1HDAC6AR
SCHEMBL1284259 0.75 UCHL1 (0.67) UCHL1KDM1AHDAC1HDAC6AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 UCHL1 1667/4885KDM1A 1200/4885HDAC1 724/4885

“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.