SCHEMBL5630537

SCHEMBL5630537

CCCNCC(O)COc1ccccc1OCCCOc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.55
▸ ATM Q13315 1/20 0.45
▸ GRK3 P35626 2/20 0.45
▸ ADRB2 P07550 5/20 0.44
▸ ADRB3 P13945 4/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ ADRB1 P08588 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ SLC22A1 O15245 2/20 0.44
▸ KCNK2 O95069 2/20 0.44
▸ ABCB11 O95342 2/20 0.44
▸ ADRA2C P18825 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ HTR2B P41595 2/20 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
SCHEMBL5631026 0.89 ABCB1 (0.52) ABCB1ATMADRB2ADRB3CYP1A2
SCHEMBL5630529 0.88 ADRB2 (0.51) ADRB2ADRB3CYP1A2ADRB1LMNA
SCHEMBL5632299 0.77 L3MBTL1 (0.48) ATMCYP1A2LMNACYP3A4ADRA1A
SCHEMBL5632118 0.75 PDE4A (0.46) ABCB1ATMCYP1A2LMNACYP3A4
SCHEMBL5631023 0.75 PTGS1 (0.53) ADRB2ADRB3CYP1A2ADRB1LMNA
SCHEMBL5632117 0.69 PDE4A (0.48) ABCB1ATMCYP1A2LMNACYP3A4
Tolamolol SCHEMBL613511 0.68 ATM (0.59) ABCB1ATMADRB2ADRB3CYP1A2
Tolamolol SCHEMBL611643 0.68 ATM (0.59) ABCB1ATMADRB2ADRB3CYP1A2
SCHEMBL5632239 0.68 SRD5A2 (0.58) ATMCYP1A2CYP3A4MAPK1SMN1; SMN2
Tolamolol SCHEMBL8057907 0.68 ATM (0.58) ABCB1ATMADRB2ADRB3CYP1A2

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 3 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
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 ABCB1 947/4885ATM 3637/4885GRK3 84/4885

“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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