SCHEMBL8242595

SCHEMBL8242595

CC(C)(C)OC(=O)N1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.47
ACKR3 P25106 1/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TLR8 Q9NR97 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
NR1H2 P55055 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL23269711 0.94 USP2 (0.56) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL23269712 0.93 USP2 (0.54) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL20873847 0.92 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL15353080 0.91 SMN1; SMN2 (0.72) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL15474971 0.91 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL39756 0.91 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL8253901 0.91 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL2616174 0.91 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL9067068 0.90 USP2 (0.51) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16993071 0.89 USP2 (0.50) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556875-B2 Bis-diazeniumdiolate compounds as anti-cancer agents ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-02-11 US disclosed
US-10556875-B2 Bis-diazeniumdiolate compounds as anti-cancer agents ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-02-11 US disclosed
US-20190106396-A1 BIS-DIAZENIUMDIOLATE COMPOUNDS AS ANTI-CANCER AGENTS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2019-04-11 US disclosed
US-20190106396-A1 BIS-DIAZENIUMDIOLATE COMPOUNDS AS ANTI-CANCER AGENTS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2019-04-11 US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 US disclosed
WO-2007042815-A1 COMPOUNDS CONTAINING MORE THAN ONE HUMAN NEUTROPHIL ELASTASE INHIBITING MOIETY FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2007-04-19 WO disclosed
WO-2006136857-A1 DIHYDROPYRIMIDONE MULTIMERS AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 WO disclosed
WO-2006082412-A2 MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-08-10 WO 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 (4 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-20190106396-A1 BIS-DIAZENIUMDIOLATE COMPOUNDS AS ANTI-CANCER AGENTS MCL1, NOS3, NOS1 USP2 1029/4885SMN1; SMN2 4187/4885CHRM2 3653/4885
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors SERPINB1, ELANE, MPO USP2 3145/4885SMN1; SMN2 956/4885CHRM2 2197/4885
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use MRM1, ME2, SDHA USP2 3910/4885SMN1; SMN2 1065/4885CHRM2 159/4885
US-10556875-B2 Bis-diazeniumdiolate compounds as anti-cancer agents MCL1, NOS3, NOS1 USP2 1029/4885SMN1; SMN2 4187/4885CHRM2 3653/4885

“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.