SCHEMBL4901318

SCHEMBL4901318

COCCc1ccc(OCC(O)CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.53
CYP2D6 P10635 2/20 0.53
NR3C1 P04150 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRA1A P35348 1/20 0.53
CYP2J2 P51589 1/20 0.53
PDE4D Q08499 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
PMP22 Q01453 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL8265435 1.00 ADRB1 (0.53) ADRB1CYP2D6NR3C1ADRB2ADRA1A
SCHEMBL14045510 0.86 ADRB1 (0.49) ADRB1CYP2D6NR3C1ADRB2ADRA1A
SCHEMBL4894572 0.85 MEN1 (0.58) ADRB1CYP2D6ADRB2NPSR1ALDH1A1
SCHEMBL4894557 0.85 MEN1 (0.58) ADRB1CYP2D6ADRB2NPSR1ALDH1A1
SCHEMBL4656378 0.84 GPR119 (0.52) ADRB1CYP2D6NPSR1ALDH1A1MEN1
SCHEMBL4920538 0.84 ALDH1A1 (0.49) ADRB1CYP2D6NPSR1ALDH1A1MEN1
SCHEMBL8183056 0.79 CYP3A4 (0.56) CYP2D6NPSR1ALDH1A1MEN1MAPT
SCHEMBL8191425 0.78 HRH1 (0.59) ADRB1CYP2D6ADRB2NPSR1ALDH1A1
SCHEMBL8182207 0.76 ADRB2 (0.52) ADRB1CYP2D6ADRB2NPSR1PMP22
SCHEMBL4573880 0.76 ADRB2 (0.52) ADRB1CYP2D6ADRB2NPSR1PMP22

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 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
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-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
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 ADRB1 3/4885CYP2D6 1095/4885NR3C1 1132/4885

“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.