SCHEMBL13414734

SCHEMBL13414734

CC(=O)N1CCC2(CC1)CC(=O)CC1(CCN(C(C)=O)CC1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
USP2 O75604 4/20 0.39
ALDH1A1 P00352 7/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 4/20 0.37
TSHR P16473 2/20 0.37
CYP2D6 P10635 4/20 0.36
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 3/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 2/20 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
SCHEMBL13414730 0.90 GAA (0.37) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL25346624 0.79 USP2 (0.50) USP2ALDH1A1CYP2C19MAPK1MEN1
SCHEMBL13414736 0.74 USP2 (0.39) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL30174827 0.73 CYP11B1 (0.43) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL31267818 0.72
SCHEMBL13199373 0.70 CYP1A2 (0.44) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL26783934 0.68 USP2 (0.60) USP2ALDH1A1CYP2C19MAPK1MEN1
SCHEMBL15417801 0.68 MEN1 (0.46) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL2984226 0.67 USP2 (0.42) GAAGFERUSP2ALDH1A1CYP2C19
SCHEMBL27013174 0.67 CRBN (0.61)

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-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2010-03-25 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-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL NOX4, TXN2, TXNRD2 GAA 3773/4885GFER 802/4885USP2 1595/4885

“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.