SCHEMBL4895738

SCHEMBL4895738

O=C1CCC(c2ccc(OCC(=O)N3CCC(NC[C@H](O)COc4ccccc4F)CC3)c(Cl)c2)=NN1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ATF4 P18848 4/20 0.43
HPGD P15428 1/20 0.43
ABCB11 O95342 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
FKBP1A P62942 1/20 0.38
POLB P06746 1/20 0.37
MGLL Q99685 3/20 0.36

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
SCHEMBL4892699 1.00 ADRB3 (0.43) ADRB3ADRB2ADRB1ATF4HPGD
SCHEMBL4897732 0.94 MEN1 (0.42) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL4574895 0.94 MEN1 (0.42) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL14045484 0.93 ABCB11 (0.40) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL4892474 0.92 ABCB11 (0.39) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL4903835 0.92 ABCB11 (0.39) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL4892652 0.91 MEN1 (0.48) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL4897663 0.91 ADRB3 (0.46) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL14046032 0.91 ABCB11 (0.39) ADRB3ADRB2ADRB1ATF4ABCB11
SCHEMBL8263279 0.91 ATF4 (0.40) ADRB3ADRB2ADRB1ATF4ABCB11

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 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-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

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 1/4885ADRB2 5/4885ADRB1 3/4885

“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.