SCHEMBL4899690

SCHEMBL4899690

N#Cc1cccc(OC[C@@H](O)CNC2CCN(C(=O)COc3ccc(C4=NNC(=O)CC4)cc3Cl)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.52
CCR3 P51677 5/20 0.52
ADRB3 P13945 7/20 0.46
ADRB2 P07550 5/20 0.46
ADRB1 P08588 5/20 0.46
ATF4 P18848 3/20 0.41
LMNA P02545 1/20 0.36
MGLL Q99685 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 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
SCHEMBL4899687 1.00 HRH1 (0.52) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4899710 0.93 HRH1 (0.49) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4915693 0.93 HRH1 (0.49) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL14046035 0.93 HRH1 (0.46) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4903507 0.92 ATF4 (0.43) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4903321 0.92 ATF4 (0.43) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4897775 0.90 ATF4 (0.42) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4897765 0.90 ATF4 (0.42) HRH1CCR3ADRB3ADRB2ADRB1
SCHEMBL4901845 0.88 ATF4 (0.44) HRH1CCR3ADRB3ADRB1ATF4
SCHEMBL4892638 0.88 ATF4 (0.44) HRH1CCR3ADRB3ADRB1ATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 HRH1 647/4885CCR3 1707/4885ADRB3 1/4885

“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.