SCHEMBL5631180

SCHEMBL5631180

CC(C)NCC(O)COc1ccc(OCCCN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.68
▸ SLC6A2 P23975 1/20 0.68
▸ ADRB2 P07550 6/20 0.66
▸ ADRB1 P08588 5/20 0.66
▸ CYP2D6 P10635 3/20 0.66
▸ ADRB3 P13945 2/20 0.66
▸ MAPT P10636 1/20 0.65
▸ ADRA1A P35348 2/20 0.63
▸ NR3C1 P04150 1/20 0.63
▸ CYP2J2 P51589 1/20 0.63
▸ PDE4D Q08499 1/20 0.63
▸ LMNA P02545 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ ADRA1D P25100 1/20 0.61
▸ ADRA1B P35368 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ GLA P06280 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61

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
SCHEMBL8348602 1.00 PTGS1 (0.68) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11652576 0.87 ADRB2 (0.70) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL10913734 0.87 PTGS1 (0.70) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL10911960 0.84 PTGS1 (0.67) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11651404 0.84 ADRB2 (0.73) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL5631468 0.84 MAPT (0.53) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL5631471 0.84 MAPT (0.53) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11258680 0.84 MAPT (0.71) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11667770 0.84 ADRB2 (0.88) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11258678 0.84 MAPT (0.71) PTGS1SLC6A2ADRB2ADRB1CYP2D6

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 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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