SCHEMBL4897765

SCHEMBL4897765

O=C1CCC(c2ccc(OCC(=O)N3CCC(NC[C@H](O)COc4cccc(Br)c4)CC3)c(Cl)c2)=NN1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
RECQL P46063 1/20 0.41
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
ADRB3 P13945 10/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 8/20 0.37
ADRB1 P08588 8/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4897775 1.00 ATF4 (0.42) ATF4CYP3A4CYP2D6RECQLHRH1
SCHEMBL14027342 0.94 CYP3A4 (0.41) ATF4CYP3A4CYP2D6RECQLHRH1
SCHEMBL4903507 0.93 ATF4 (0.43) ATF4HRH1CCR3ADRB3ALDH1A1
SCHEMBL4903321 0.93 ATF4 (0.43) ATF4HRH1CCR3ADRB3ALDH1A1
SCHEMBL4892638 0.92 ATF4 (0.44) ATF4CYP3A4CYP2D6RECQLHRH1
SCHEMBL4901845 0.92 ATF4 (0.44) ATF4CYP3A4CYP2D6RECQLHRH1
SCHEMBL4899687 0.90 HRH1 (0.52) ATF4HRH1CCR3ADRB3ADRB2
SCHEMBL4899690 0.90 HRH1 (0.52) ATF4HRH1CCR3ADRB3ADRB2
SCHEMBL4897732 0.89 MEN1 (0.42) ATF4RECQLADRB3ALDH1A1ADRB2
SCHEMBL4574895 0.89 MEN1 (0.42) ATF4RECQLADRB3ALDH1A1ADRB2

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 ATF4 3899/4885CYP3A4 686/4885CYP2D6 726/4885
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 ATF4 1399/4885CYP3A4 1709/4885CYP2D6 1095/4885

“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.