SCHEMBL4899668

SCHEMBL4899668

CC(C)(CNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl)NCC(O)COc1c(Br)ccc2[nH]c3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.37
ADRB1 P08588 5/20 0.37
ADRB3 P13945 7/20 0.37
TLR4 O00206 5/20 0.34
DNM1 Q05193 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
DRD2 P14416 3/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
KCNK2 O95069 1/20 0.33
ABCB11 O95342 1/20 0.33
APP P05067 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL4901155 0.92 ADRB2 (0.44) ADRB2ADRB1ADRB3TLR4DNM1
SCHEMBL4905373 0.91 ADRB2 (0.37) ADRB2ADRB1ADRB3TLR4DNM1
SCHEMBL8263307 0.82 ADRB1 (0.47) ADRB2ADRB1ADRB3TLR4DNM1
SCHEMBL8262406 0.81 TP53 (0.31) ADRB2ADRB1ADRB3MAPTSLC2A1
SCHEMBL8262403 0.81 SLC2A1 (0.36) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL8263801 0.81 PDE3B (0.41) MAPTLMNASLC2A1KDM4ENPY1R
SCHEMBL4895526 0.81 ADRB2 (0.51) ADRB2ADRB1ADRB3TLR4DNM1
SCHEMBL8262405 0.81 MEN1 (0.31) ADRB2ADRB1ADRB3MAPTSLC2A1
SCHEMBL4901586 0.79 ADRB2 (0.35) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL4901319 0.78 GRK3 (0.35) ADRB2ADRB1ADRB3MAPTLMNA

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 2 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

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 3/4885ADRB3 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.