SCHEMBL4900340

SCHEMBL4900340

NCCOc1ccc(C2=NNC(=O)CC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.55
PDE3A Q14432 9/20 0.55
PDE4B Q07343 7/20 0.55
PDE4A P27815 6/20 0.55
PDE4C Q08493 6/20 0.55
PDE4D Q08499 6/20 0.55
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4903296 0.94 PDE3B (0.54) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL8266841 0.93 PDE3B (0.53) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL8262879 0.92 PDE3B (0.52) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL4890576 0.86 PDE3B (0.54) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7296314 0.86 PDE3B (0.57) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7336905 0.85 PDE3B (0.53) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL8191155 0.85 PDE3B (0.61) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7327893 0.84 PDE3B (0.52) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL8267127 0.84 PDE3B (0.55) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7333826 0.83 TP53 (0.47) PDE3BPDE3APDE4BPDE4APDE4C

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 10 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
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP 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 PDE3B 4/4885PDE3A 2/4885PDE4B 8/4885

“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.