SCHEMBL834021

SCHEMBL834021

CC(C)(C)OC(=O)N1CCCC1C(=O)N1Cc2cccc(C#N)c2C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 7/20 0.64
HSD17B10 Q99714 1/20 0.50
HSD11B1 P28845 2/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
USP30 Q70CQ3 3/20 0.44
NPC1 O15118 1/20 0.43
NAMPT P43490 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
SCHEMBL833367 0.83 ALDH1A1 (0.53) UCHL1HSD11B1USP30NAMPTDDB1
SCHEMBL835762 0.82 HPGD (0.50) UCHL1NAMPTDDB1CRBN
SCHEMBL13088807 0.82 UCHL1 (0.56) UCHL1HSD17B10HSD11B1HRH2HRH1
SCHEMBL3055188 0.81 DDB1 (0.52) UCHL1NAMPTDDB1CRBN
SCHEMBL31420680 0.81 DDB1 (0.52) UCHL1NAMPTDDB1CRBN
SCHEMBL24265580 0.79 MAPK1 (0.49) UCHL1NAMPTDDB1CRBN
SCHEMBL29574543 0.79 MAPK1 (0.46) UCHL1NPC1DDB1CRBN
SCHEMBL7641200 0.78 ESR2 (0.52) UCHL1NAMPTDDB1CRBN
SCHEMBL2121713 0.78 ESR2 (0.52) UCHL1NAMPTDDB1CRBN
SCHEMBL18387612 0.78 UCHL1 (1.00) UCHL1HSD17B10HSD11B1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143284-B2 2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide; allergic encephalitis, arthritis, cardiac and kidney toxicities from doxorubicin-based and platinum-based antineoplastic agents, carcinoma of the breast, central nervous system inflammation, cervical carcinoma, ABBOTT LABORATORIES (US) 2012-03-27 US disclosed
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBVIE INC. 2008-05-08 US 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-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS PARP1, PARP11, PARP2 UCHL1 1537/4885HSD17B10 2291/4885HSD11B1 3536/4885

“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.