SCHEMBL3123147

SCHEMBL3123147

CCCCN1C(=O)C(C)(C)NC(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 5/20 0.41
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6550307 0.92 MGLL (0.50) POLBCNR1PTGS1PTGS2MGLL
SCHEMBL11446912 0.92 MGLL (0.50) POLBCNR1PTGS1PTGS2MGLL
SCHEMBL11447070 0.89 POLB (0.46) SMN1; SMN2POLBMGLLFAAHRAB9A
SCHEMBL11445778 0.87 POLB (0.45) SMN1; SMN2POLBCNR1PTGS1PTGS2
SCHEMBL11445763 0.87 POLB (0.45) SMN1; SMN2POLBCNR1PTGS1PTGS2
SCHEMBL8674736 0.84 POLB (0.50) SMN1; SMN2POLBGAAKMT2AALDH1A1
SCHEMBL5584328 0.82 POLB (0.61) SMN1; SMN2POLBCNR1RAB9AGAA
SCHEMBL23733524 0.80 PTGS1 (0.43) SMN1; SMN2CNR1PTGS1PTGS2MGLL
SCHEMBL11387429 0.79 CNR1 (0.38) SMN1; SMN2POLBCNR1PTGS1PTGS2
SCHEMBL14227264 0.78 PTGS1 (0.38) SMN1; SMN2CNR1PTGS1PTGS2MGLL

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 3 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

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 SMN1; SMN2 1860/4885POLB 98/4885CNR1 4045/4885

“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.