SCHEMBL4724646

SCHEMBL4724646

CC(C)(C)OC(=O)NC1CCC(ON2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
DRD2 P14416 4/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.44
KCNA3 P22001 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
NAMPT P43490 1/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42

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
SCHEMBL8749699 1.00 KDM1A (0.50) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL4724647 1.00 KDM1A (0.50) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL4724994 0.93 KDM1A (0.48) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL4724999 0.93 KDM1A (0.48) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL4775476 0.93 KDM1A (0.48) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL4724995 0.93 KDM1A (0.48) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL4775473 0.93 KDM1A (0.48) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL23069631 0.89 KMT2A (0.49) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL23069633 0.89 KMT2A (0.49) KDM1AMAOBDRD2KMT2AL3MBTL1
SCHEMBL29516153 0.83 DRD2 (0.48) KDM1AMAOBDRD2KMT2AL3MBTL1

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 9 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
EP-0644872-B1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA GEIGY AG (CH) 1997-03-19 EP disclosed
US-5516806-A ANTITUMOR CIBA-GEIGY CORPORATION (US) 1996-05-14 US disclosed
EP-0644872-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
WO-1994024093-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA-GEIGY AG (CH) 1994-10-27 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 3049/4885DRD2 3081/4885

“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.