SCHEMBL4900364

SCHEMBL4900364

O=C1CCC(c2ccc(OCC(=O)N3CC(NCC(O)COc4cccc5[nH]c6ccccc6c45)C3)c(Cl)c2)=NN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.48
ADRB1 P08588 4/20 0.46
TLR4 O00206 5/20 0.43
ADRB2 P07550 3/20 0.42
DNM1 Q05193 1/20 0.42
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
KCNK2 O95069 1/20 0.39
ABCB11 O95342 1/20 0.39
APP P05067 1/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL4901448 0.95 ADRB3 (0.51) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL4897702 0.93 ADRB3 (0.53) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL8263805 0.93 ADRB3 (0.53) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL4897688 0.93 ADRB3 (0.53) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL8263307 0.84 ADRB1 (0.47) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL4896440 0.83 ADRB3 (0.43) ADRB3ADRB1MAPTLMNACYP3A4
SCHEMBL4896452 0.83 ADRB3 (0.43) ADRB3ADRB1MAPTLMNACYP3A4
SCHEMBL4901155 0.83 ADRB2 (0.44) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL4897732 0.83 MEN1 (0.42) ADRB3ADRB1ADRB2KDM4EABCB11
SCHEMBL4574895 0.83 MEN1 (0.42) ADRB3ADRB1ADRB2KDM4EABCB11

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
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO 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

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 1/4885ADRB1 3/4885TLR4 3956/4885

“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.