SCHEMBL5630529

SCHEMBL5630529

Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(OCCCOc2ccccc2OCC(O)CNC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 10/20 0.51
▸ ADRB1 P08588 9/20 0.51
▸ ADRB3 P13945 2/20 0.47
▸ DNM1 Q05193 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ SLC22A1 O15245 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL5631023 0.88 PTGS1 (0.53) ADRB2ADRB1ADRB3CYP2D6LMNA
SCHEMBL5630537 0.88 ABCB1 (0.55) ADRB2ADRB1ADRB3DNM1CYP2D6
SCHEMBL5632299 0.79 L3MBTL1 (0.48) LMNACYP1A2HTR1AADRA1A
SCHEMBL5631026 0.75 ABCB1 (0.52) ADRB2ADRB1ADRB3CYP1A2
SCHEMBL5632117 0.74 PDE4A (0.48) LMNACYP1A2
SCHEMBL11868102 0.71 ADRB2 (0.82) ADRB2ADRB1ADRB3CYP2D6SLC22A1
SCHEMBL5632118 0.70 PDE4A (0.46) LMNACYP1A2
Hydrochloric Acid SCHEMBL11874444 0.70 ADRB2 (0.80) ADRB2ADRB1ADRB3CYP2D6SLC22A1
SCHEMBL11379081 0.70 ADRB2 (0.71) ADRB2ADRB1ADRB3CYP2D6SLC22A1
SCHEMBL19284295 0.70 ADRB2 (0.75) ADRB2ADRB1ADRB3CYP2D6SLC22A1

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

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

“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.

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