SCHEMBL4899650

SCHEMBL4899650

Cc1ccc(OCC(O)CNC2CCN(C(=O)COc3ccc(C4=NNC(=O)CC4)cc3Cl)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.43
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL4919914 1.00 ATF4 (0.43) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4892581 0.94 ADRB3 (0.45) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4903640 0.94 ADRB3 (0.45) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4892638 0.93 ATF4 (0.44) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4901845 0.93 ATF4 (0.44) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4903321 0.93 ATF4 (0.43) ATF4LMNAHRH1CCR3ADRB2
SCHEMBL4903507 0.93 ATF4 (0.43) ATF4LMNAHRH1CCR3ADRB2
SCHEMBL4899710 0.91 HRH1 (0.49) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4915693 0.91 HRH1 (0.49) ATF4LMNACYP3A4CYP2D6HRH1
SCHEMBL4903082 0.90 ATF4 (0.41) ATF4LMNACYP3A4CYP2D6HRH1

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 ATF4 1399/4885LMNA 1155/4885CYP3A4 1709/4885

“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.