SCHEMBL4901586

SCHEMBL4901586

CC(C)(CNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCC(O)COc1cccc2c1c1ccccc1n2CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
HTR1A P08908 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC2A1 P11166 1/20 0.34
GRK3 P35626 3/20 0.33
PRMT5 O14744 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP2D6 P10635 1/20 0.32
CASR P41180 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4901319 0.94 GRK3 (0.35) ADRB2ADRB1HTR1AOPRK1SLC2A1
SCHEMBL8262403 0.93 SLC2A1 (0.36) ADRB2ADRB1HTR1AOPRK1SLC2A1
SCHEMBL4901155 0.87 ADRB2 (0.44) ADRB2ADRB1HTR1AOPRK1ADRB3
SCHEMBL4905373 0.82 ADRB2 (0.37) ADRB2ADRB1HTR1AOPRK1SLC2A1
SCHEMBL8263801 0.80 PDE3B (0.41) SLC2A1ALDH1A1LMNATP53HPGD
SCHEMBL4899668 0.79 ADRB2 (0.37) ADRB2ADRB1HTR1AOPRK1SLC2A1
SCHEMBL8263307 0.77 ADRB1 (0.47) ADRB2ADRB1HTR1AOPRK1ADRB3
SCHEMBL4895616 0.76 CYP2D6 (0.41) ADRB2ADRB1SLC2A1ADRB3CYP2D6
SCHEMBL4895619 0.76 CYP2D6 (0.41) ADRB2ADRB1SLC2A1ADRB3CYP2D6
SCHEMBL4895526 0.76 ADRB2 (0.51) ADRB2ADRB1HTR1AOPRK1ADRB3

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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US claimed
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-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 (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 ADRB2 5/4885ADRB1 3/4885HTR1A 838/4885

“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.