SCHEMBL4892638

SCHEMBL4892638

O=C1CCC(c2ccc(OCC(=O)N3CCC(NCC(O)COc4ccc(Br)cc4)CC3)c(Cl)c2)=NN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 5/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4901845 1.00 ATF4 (0.44) ATF4CYP3A4CYP2D6RECQLALDH1A1
SCHEMBL4899650 0.93 ATF4 (0.43) ATF4CYP3A4CYP2D6ALDH1A1HRH1
SCHEMBL4919914 0.93 ATF4 (0.43) ATF4CYP3A4CYP2D6ALDH1A1HRH1
SCHEMBL4892581 0.93 ADRB3 (0.45) ATF4CYP3A4CYP2D6ALDH1A1HRH1
SCHEMBL4903640 0.93 ADRB3 (0.45) ATF4CYP3A4CYP2D6ALDH1A1HRH1
SCHEMBL4903507 0.93 ATF4 (0.43) ATF4ALDH1A1HRH1CCR3LMNA
SCHEMBL4903321 0.93 ATF4 (0.43) ATF4ALDH1A1HRH1CCR3LMNA
SCHEMBL4897775 0.92 ATF4 (0.42) ATF4CYP3A4CYP2D6RECQLALDH1A1
SCHEMBL4899710 0.92 HRH1 (0.49) ATF4CYP3A4CYP2D6ALDH1A1HRH1
SCHEMBL4897765 0.92 ATF4 (0.42) ATF4CYP3A4CYP2D6RECQLALDH1A1

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 1399/4885CYP3A4 1709/4885CYP2D6 1095/4885

“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.