SCHEMBL834020

SCHEMBL834020

CC(C)(C)OC(=O)N1CCCC1CN1Cc2cccc(C#N)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.43
PREP P48147 3/20 0.42
UCHL1 P09936 4/20 0.41
IL1B P01584 2/20 0.40
P2RX7 Q99572 1/20 0.40
KDM1A O60341 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PARP1 P09874 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
USP30 Q70CQ3 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL4031019 0.84 KDM1A (0.44) OPRD1UCHL1IL1BP2RX7KDM1A
SCHEMBL833366 0.83 MEN1 (0.48) KDM1AALOX5APFEN1PARP1MEN1
SCHEMBL1881122 0.83 HTT (0.48) OPRD1PREPKDM1APARP1ALDH1A1
SCHEMBL835761 0.83 GPR119 (0.47) PARP1ALDH1A1
SCHEMBL14373687 0.81 KDM1A (0.42) OPRD1UCHL1IL1BP2RX7KDM1A
SCHEMBL834779 0.76 MEN1 (0.45) UCHL1PARP1MEN1ALDH1A1MAPT
SCHEMBL835492 0.75 PARP1 (0.50) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL18793943 0.75 FPR2 (0.43) OPRD1PREPUCHL1KDM1AALOX5AP
SCHEMBL4031169 0.75 NR1I2 (0.50) OPRD1KDM1AMEN1ALDH1A1KMT2A
SCHEMBL834075 0.74 USP30 (0.47) PARP1MEN1ALDH1A1MAPTKMT2A

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 OPRD1 3728/4885PREP 2113/4885UCHL1 1537/4885

“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.