SCHEMBL5631023

SCHEMBL5631023

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ ADRB2 P07550 4/20 0.53
▸ ADRB1 P08588 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ADRB3 P13945 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52

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
SCHEMBL5630529 0.88 ADRB2 (0.51) ADRB2ADRB1CYP1A2ADRB3CYP2D6
SCHEMBL5631026 0.85 ABCB1 (0.52) ADRB2ADRB1CYP1A2TSHRADRB3
SCHEMBL5632117 0.84 PDE4A (0.48) CYP1A2TSHRALOX15LMNAKDM4E
SCHEMBL5632118 0.80 PDE4A (0.46) CYP1A2TSHRALOX15KMT2ALMNA
SCHEMBL11142129 0.77 PTGS1 (0.62) PTGS1SLC6A2ADRB2ADRB1CYP1A2
SCHEMBL5459285 0.76 PDE4A (0.57) CYP1A2TSHRALOX15TDP1CYP3A4
Hydrochloric Acid SCHEMBL10840958 0.76 MAPT (0.68) PTGS1SLC6A2ADRB2ADRB1CYP1A2
SCHEMBL5630537 0.75 ABCB1 (0.55) SLC6A2ADRB2ADRB1CYP1A2TSHR
Hydrochloric Acid SCHEMBL10840880 0.75 ADRB2 (0.66) PTGS1SLC6A2ADRB2ADRB1CYP1A2
SCHEMBL9629561 0.74 ADRB2 (0.71) PTGS1SLC6A2ADRB2ADRB1CYP1A2

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 PTGS1 687/4885SLC6A2 1073/4885ADRB2 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.

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