SCHEMBL833366

SCHEMBL833366

CC(C)(C)OC(=O)N1CCCC(CN2Cc3cccc(C#N)c3C2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
FEN1 P39748 2/20 0.46
KDM1A O60341 1/20 0.44
ACKR3 P25106 1/20 0.43
HTR6 P50406 7/20 0.42
BCHE P06276 4/20 0.42
NAMPT P43490 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PARP1 P09874 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL835761 0.89 GPR119 (0.47) ALDH1A1NAMPTPARP1GPR119
SCHEMBL834020 0.83 OPRD1 (0.43) MEN1ALDH1A1MAPTKMT2AFEN1
SCHEMBL834779 0.82 MEN1 (0.45) MEN1ALDH1A1MAPTKMT2APRMT5
SCHEMBL834075 0.78 USP30 (0.47) MEN1ALDH1A1MAPTKMT2APRMT5
SCHEMBL835492 0.76 PARP1 (0.50) MEN1ALDH1A1MAPTKMT2APARP1
SCHEMBL15729774 0.76 KDM4E (0.46) ALDH1A1KDM1ANAMPTPRMT5WDR77
SCHEMBL6128734 0.74 PARP1 (0.53) ALDH1A1PARP1GPR119
SCHEMBL1867977 0.74 PARP1 (0.63) PARP1
SCHEMBL833367 0.74 ALDH1A1 (0.53) MEN1ALDH1A1MAPTKMT2ANAMPT
SCHEMBL23871348 0.73 ACKR3 (0.51) MEN1KMT2AFEN1KDM1AACKR3

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 MEN1 4007/4885ALDH1A1 1374/4885MAPT 2075/4885

“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.