SCHEMBL4897655

SCHEMBL4897655

O=C1CCC(c2ccc(OCCCNC[C@H](O)COc3cccc4[nH]c5ccccc5c34)c(Cl)c2)=NN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.55
TLR4 O00206 6/20 0.55
ADRB2 P07550 5/20 0.55
DRD2 P14416 3/20 0.55
ADRB1 P08588 3/20 0.55
MAPT P10636 2/20 0.55
DNM1 Q05193 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
MLNR O43193 1/20 0.55
NR1I2 O75469 1/20 0.55
KCNK2 O95069 1/20 0.55
ABCB11 O95342 1/20 0.55
APP P05067 1/20 0.55
ABCB1 P08183 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL4892772 1.00 ADRB3 (0.55) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL8263813 1.00 ADRB3 (0.55) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL8263798 0.98 ADRB3 (0.53) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL4893422 0.98 ADRB3 (0.58) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL4893427 0.98 ADRB3 (0.58) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL8262877 0.97 ADRB3 (0.52) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL8263307 0.89 ADRB1 (0.47) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL4902961 0.89 ADRB2 (0.41) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL4902951 0.89 ADRB2 (0.41) ADRB3TLR4ADRB2DRD2ADRB1
SCHEMBL14027332 0.89 ADRB2 (0.61) ADRB3TLR4ADRB2DRD2ADRB1

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-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
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP 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-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
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 ADRB3 1/4885TLR4 3956/4885ADRB2 5/4885

“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.