SCHEMBL834779

SCHEMBL834779

CC(C)(C)OC(=O)N1CCCC(N2Cc3cccc(C#N)c3C2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
FPR2 P25090 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
USP30 Q70CQ3 3/20 0.42
PARP1 P09874 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ESR2 Q92731 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PARP2 Q9UGN5 2/20 0.40
UCHL1 P09936 1/20 0.40
HSD11B1 P28845 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
SCHEMBL834075 0.94 USP30 (0.47) MEN1ALDH1A1MAPTKMT2APRMT5
SCHEMBL835492 0.88 PARP1 (0.50) MEN1ALDH1A1MAPTKMT2AHTR2A
SCHEMBL4197579 0.86 HTR2A (0.48) FPR2PRMT5WDR77HTR2AUSP30
SCHEMBL4190340 0.83 FPR2 (0.43) ALDH1A1MAPTFPR2PRMT5WDR77
SCHEMBL833366 0.82 MEN1 (0.48) MEN1ALDH1A1MAPTKMT2APRMT5
SCHEMBL20986682 0.80 FPR2 (0.44) MEN1ALDH1A1MAPTKMT2AFPR2
SCHEMBL20986680 0.80 FPR2 (0.44) MEN1ALDH1A1MAPTKMT2AFPR2
SCHEMBL20986710 0.78 FPR2 (0.46) FPR2PRMT5WDR77USP30POLB
SCHEMBL20986860 0.78 FPR2 (0.46) FPR2PRMT5WDR77USP30POLB
SCHEMBL4196153 0.77 SMN1; SMN2 (0.49) MEN1ALDH1A1MAPTKMT2AFPR2

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.