SCHEMBL2996694

SCHEMBL2996694

CCC1(CC)C(=O)NCC(C)(C)N1[O]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14227273 0.81 POLB (0.34) TSHRNPSR1LMNAKDM4ECYP2C19
SCHEMBL7002832 0.75 SMN1; SMN2 (0.36) TSHRNPSR1MEN1KMT2A
SCHEMBL7637281 0.70 SMN1; SMN2 (0.32)
SCHEMBL4954515 0.68 TSHR (0.35) TSHRNPSR1LMNA
SCHEMBL2995460 0.67 SMN1; SMN2 (0.48) LMNAKDM4ECYP2C19
SCHEMBL4952322 0.67 LMNA (0.33) LMNA
SCHEMBL11097750 0.65 POLB (0.31) POLB
SCHEMBL7957203 0.65 POLB (0.30) POLB
SCHEMBL7362457 0.64
SCHEMBL3123580 0.64

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 6 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
US-20100143805-A1 NITROXIDES FOR LITHIUM-ION BATTERIES CIBA CORPORATION (NY) 2010-06-10 US disclosed
EP-2162937-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (DE) 2010-03-17 EP disclosed
EP-2122739-A1 NITROXIDES FOR LITHIUM-ION BATTERIES BASF SE (DE) 2009-11-25 EP disclosed
WO-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 WO disclosed
WO-2008110466-A1 NITROXIDES FOR LITHIUM-ION BATTERIES BASF SE (CH) 2008-09-18 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 (2 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 TSHR 3194/4885NPSR1 999/4885LMNA 2865/4885
US-20100143805-A1 NITROXIDES FOR LITHIUM-ION BATTERIES OGG1, NOX4, NQO1 TSHR 3327/4885NPSR1 1630/4885LMNA 3103/4885

“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.