SCHEMBL5630692

SCHEMBL5630692

CCCNC[C@@H](O)COc1ccc(OCCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
MAPT P10636 2/20 0.42
ADRB1 P08588 5/20 0.41
ADRB3 P13945 3/20 0.41
ADRB2 P07550 1/20 0.41
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
ABCB1 P08183 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5632725 0.98 LMNA (0.43) LMNANPY1RNPY2RMAPTADRB1
SCHEMBL5633535 0.92 ADRB1 (0.41) LMNANPY1RNPY2RMAPTADRB1
SCHEMBL5630866 0.91 LMNA (0.38) LMNANPY1RNPY2RMAPTADRB1
SCHEMBL5655474 0.90 LMNA (0.53) LMNANPY1RNPY2RMAPTKMT2A
SCHEMBL5630690 0.90 MAPT (0.42) LMNANPY1RNPY2RMAPTADRB1
SCHEMBL5631119 0.90 LMNA (0.47) LMNANPY1RNPY2RMAPTADRB3
SCHEMBL5632722 0.87 MAPT (0.41) LMNANPY1RNPY2RMAPTADRB1
SCHEMBL5631517 0.87 LMNA (0.46) LMNANPY1RNPY2RMAPTADRB1
SCHEMBL5633531 0.83 LMNA (0.38) LMNANPY1RNPY2RMAPTADRB1
Hydrochloric Acid SCHEMBL5630410 0.82 LMNA (0.37) LMNANPY1RNPY2RMAPTADRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP claimed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO claimed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B LMNA 1122/4885NPY1R 211/4885NPY2R 165/4885

“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.