SCHEMBL4903450

SCHEMBL4903450

O=C1CCC(c2ccc(OCCN3C(=O)c4ccccc4C3=O)c(Cl)c2)=NN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ALDH1A1 P00352 2/20 0.41
AGTR1 P30556 1/20 0.41

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
SCHEMBL4901340 0.95 HRH3 (0.47) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL4900340 0.80 PDE3B (0.55) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL4903296 0.79 PDE3B (0.54) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL4890576 0.79 PDE3B (0.54) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL7325592 0.78 HRH3 (0.67) PDE3BPDE3ARAB9AHPGDNPC1
SCHEMBL7330591 0.78 PDE3B (0.47) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL8266841 0.78 PDE3B (0.53) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL8191155 0.77 PDE3B (0.61) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL7327893 0.77 PDE3B (0.52) PDE4BPDE3BPDE3APDE4APDE4C
SCHEMBL8267127 0.77 PDE3B (0.55) PDE4BPDE3BPDE3APDE4APDE4C

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 PDE4B 8/4885PDE3B 4/4885PDE3A 2/4885

“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.