SCHEMBL4892652

SCHEMBL4892652

Cc1ccccc1OCC(O)CNC1CCN(C(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB11 O95342 1/20 0.40
ADRB2 P07550 3/20 0.40
ADRB3 P13945 6/20 0.40
ADRB1 P08588 3/20 0.40
POLB P06746 2/20 0.38
ATF4 P18848 3/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4923480 1.00 MEN1 (0.48) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4574895 0.94 MEN1 (0.42) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4897732 0.94 MEN1 (0.42) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4897663 0.93 ADRB3 (0.46) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL8263789 0.93 ADRB3 (0.46) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL14045484 0.93 ABCB11 (0.40) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4903835 0.92 ABCB11 (0.39) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4892474 0.92 ABCB11 (0.39) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4897685 0.92 POLB (0.50) MEN1KMT2AABCB11ADRB2ADRB3
SCHEMBL4905190 0.92 POLB (0.50) MEN1KMT2AABCB11ADRB2ADRB3

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 claimed
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP claimed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO claimed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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
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-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 MEN1 1432/4885KMT2A 4700/4885ABCB11 845/4885

“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.