SCHEMBL834075

SCHEMBL834075

CC(C)(C)OC(=O)N1CCC(N2Cc3cccc(C#N)c3C2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.47
PARP1 P09874 3/20 0.46
GPR119 Q8TDV5 2/20 0.44
PARP2 Q9UGN5 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL834779 0.94 MEN1 (0.45) USP30PARP1GPR119PARP2HTR2A
SCHEMBL835492 0.94 PARP1 (0.50) PARP1GPR119PARP2HTR2AHTR2C
SCHEMBL4197579 0.80 HTR2A (0.48) USP30PARP1PARP2HTR2APRMT5
SCHEMBL835761 0.79 GPR119 (0.47) PARP1GPR119PARP2ALDH1A1
SCHEMBL1875466 0.78 PARP1 (0.59) PARP1PARP2MEN1KMT2ANPSR1
SCHEMBL833366 0.78 MEN1 (0.48) PARP1GPR119MEN1KMT2AALDH1A1
SCHEMBL1868956 0.78 PARP1 (0.73) PARP1PARP2
SCHEMBL29802845 0.78 PARP1 (0.73) PARP1PARP2
SCHEMBL833311 0.77 NAMPT (0.52) PARP1GPR119HTR2CMEN1KMT2A
SCHEMBL4190340 0.77 FPR2 (0.43) USP30PARP1PARP2ALDH1A1MAPT

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 USP30 2629/4885PARP1 1/4885GPR119 2169/4885

“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.