SCHEMBL3026097

SCHEMBL3026097

CCC1(CC)C(=O)N(c2ccccc2)CC(C)(C)N1[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL4954884 0.85 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL7073839 0.76 ELANE (0.36) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL7070545 0.76 ELANE (0.46) ELANEOPRM1MEN1KMT2AALDH1A1
SCHEMBL12059191 0.76 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL7067422 0.71 ELANE (0.42) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL4954455 0.71 CYP19A1 (0.31)
SCHEMBL13249587 0.70 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL4952033 0.67
SCHEMBL2138228 0.67
SCHEMBL9578136 0.66 RAB9A (0.47) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CIBA CORPORATION 2010-07-22 US disclosed
EP-2162937-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (DE) 2010-03-17 EP disclosed
WO-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 WO disclosed
EP-1873199-A1 In-can stabilizers Ciba Specialty Chemicals Holding Inc. (CH) 2008-01-02 EP disclosed
US-20070225397-A1 In-Can Stabilizers CIBA SPECIALTY CHEMICALS CORP. 2007-09-27 US disclosed
US-6664353-B2 Compounds providing stable free radical-mediated polymerization processes which yield polymers having low polydispersity at enhanced rates of polymerization and enhanced monomer to polymer conversions CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-16 US disclosed
US-20030125494-A1 Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6479608-B1 Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-12 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-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CAT, NQO1, NUCB2 ELANE 841/4885RAB9A 1877/4885SMN1; SMN2 1860/4885

“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.