SCHEMBL5633535

SCHEMBL5633535

CCCNC[C@@H](O)COc1ccc(OCCCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.41
ADRB3 P13945 4/20 0.41
ADRB2 P07550 2/20 0.41
LMNA P02545 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.35
ABCB1 P08183 2/20 0.34

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
SCHEMBL5630866 0.97 LMNA (0.38) ADRB1ADRB3ADRB2LMNANPY1R
SCHEMBL5630692 0.92 LMNA (0.44) ADRB1ADRB3ADRB2LMNANPY1R
SCHEMBL5633531 0.92 LMNA (0.38) ADRB1ADRB3ADRB2LMNANPY1R
SCHEMBL5630733 0.91 LMNA (0.47) ADRB1ADRB3ADRB2LMNANPY1R
Hydrochloric Acid SCHEMBL5630410 0.91 LMNA (0.37) ADRB1ADRB3ADRB2LMNANPY1R
SCHEMBL5633247 0.91 LMNA (0.42) ADRB3LMNANPY1RNPY2RMAPT
SCHEMBL5632725 0.90 LMNA (0.43) ADRB1ADRB3ADRB2LMNANPY1R
SCHEMBL5630860 0.89 LMNA (0.38) ADRB1ADRB3ADRB2LMNANPY1R
Hydrochloric Acid SCHEMBL5631075 0.88 LMNA (0.37) ADRB1ADRB3ADRB2LMNANPY1R
SCHEMBL8351693 0.85 MAPT (0.43) ADRB1ADRB3ADRB2LMNANPY1R

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 ADRB1 5/4885ADRB3 1/4885ADRB2 4/4885

“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.