SCHEMBL3022052

SCHEMBL3022052

C#CCN1C(=O)C(C)(C)N([O])C(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
AMY1A P0DUB6 1/20 0.35
POLB P06746 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ADORA2B P29275 1/20 0.32
PGR P06401 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
SCHEMBL3024718 0.79 POLB (0.42) CYP19A1AMY1APOLBMAOAMAOB
SCHEMBL8997578 0.76 RAB9A (0.37) CYP19A1AMY1APOLBMAOAMAOB
SCHEMBL8997602 0.73 POLB (0.61) POLB
SCHEMBL13993295 0.73 AMY1A (0.38) CYP19A1AMY1AMAOAMAOB
SCHEMBL8997644 0.66 ELANE (0.47) MAOAMAOB
SCHEMBL3010794 0.62
SCHEMBL16116451 0.61
SCHEMBL11726006 0.61 CHRM2 (0.48) CYP19A1AMY1APOLBMAOAMAOB
SCHEMBL379033 0.61 MAOA (0.47) CYP19A1AMY1AMAOAMAOB
SCHEMBL14119293 0.60

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 CYP19A1 1719/4885AMY1A 3979/4885POLB 98/4885

“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.