SCHEMBL4724995

SCHEMBL4724995

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](ON2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 3/20 0.46
EPHX2 P34913 1/20 0.43
BTK Q06187 1/20 0.42
KCNA3 P22001 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
BRD4 O60885 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
JAK1 P23458 3/20 0.39
PIK3CD O00329 1/20 0.39
HSD11B1 P28845 1/20 0.39
NAMPT P43490 1/20 0.39
CACNB4 O00305 1/20 0.39

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
SCHEMBL4775476 1.00 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL4775473 1.00 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL4724994 1.00 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL4724999 1.00 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL8749699 0.93 KDM1A (0.50) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL4724647 0.93 KDM1A (0.50) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL4724646 0.93 KDM1A (0.50) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23069631 0.92 KMT2A (0.49) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23069633 0.92 KMT2A (0.49) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL30415126 0.83 DRD2 (0.47) KDM1AMAOBKMT2AL3MBTL1DRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609644-B2 Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-12-17 US disclosed
EP-2004668-B1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-03-13 EP disclosed
US-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-03-03 US disclosed
EP-2004668-A2 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-12-24 EP disclosed
WO-2007118832-A2 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-10-25 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-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS PKD1, ATP1A2, ATP1A1 KDM1A 3832/4885MAOB 3049/4885KMT2A 3398/4885

“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.