SCHEMBL13249587

SCHEMBL13249587

CCC1(CC)C(=O)N(c2ccccc2)CC(C)(C)[N+]1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL3026097 0.70 ELANE (0.44) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL7067422 0.69 ELANE (0.42) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL12059191 0.68 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL4954884 0.68 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL9578136 0.64 RAB9A (0.47) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL4858523 0.62 RAB9A (0.47) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL25676835 0.62 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL22745995 0.62 ELANE (0.62) ELANESMN1; SMN2ALDH1A1SLC6A2KDM4E
SCHEMBL10774814 0.61 MAPT (0.45) ELANESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23561017 0.60 GRM5 (0.54) RAB9ASMN1; SMN2SIGMAR1ALDH1A1MEN1

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-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CIBA CORPORATION 2010-07-22 US disclosed
WO-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 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 (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.