SCHEMBL4897732

SCHEMBL4897732

O=C1CCC(c2ccc(OCC(=O)N3CCC(NC[C@H](O)COc4ccccc4Cl)CC3)c(Cl)c2)=NN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.41
ABCB11 O95342 1/20 0.41
ATF4 P18848 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB3 P13945 5/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4574895 1.00 MEN1 (0.42) MEN1KMT2APOLBABCB11ATF4
SCHEMBL14045484 0.95 ABCB11 (0.40) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4892474 0.95 ABCB11 (0.39) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4903835 0.95 ABCB11 (0.39) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4923480 0.94 MEN1 (0.48) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4892699 0.94 ADRB3 (0.43) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4897663 0.94 ADRB3 (0.46) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4895738 0.94 ADRB3 (0.43) MEN1KMT2APOLBABCB11ATF4
SCHEMBL4892652 0.94 MEN1 (0.48) MEN1KMT2APOLBABCB11ATF4
SCHEMBL14046032 0.94 ABCB11 (0.39) MEN1KMT2APOLBABCB11ATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 US disclosed
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
WO-2008058198-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR CARDIOME PHARMA CORP. (CA) 2008-05-15 WO disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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 (2 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-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ADRB2, ADRB3, ADRB1 MEN1 1455/4885KMT2A 2105/4885POLB 1385/4885
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 MEN1 1432/4885KMT2A 4700/4885POLB 3821/4885

“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.