SCHEMBL5631468

SCHEMBL5631468

CC(C)NC[C@H](O)COc1ccc(OCCCN)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ ADRB2 P07550 5/20 0.52
▸ ADRB1 P08588 4/20 0.52
▸ CYP2D6 P10635 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49

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
SCHEMBL5631471 1.00 MAPT (0.53) MAPTADRB2ADRB1CYP2D6PTGS1
SCHEMBL11848235 0.87 ADRB2 (0.56) MAPTADRB2ADRB1CYP2D6
SCHEMBL8348602 0.84 PTGS1 (0.68) MAPTADRB2ADRB1CYP2D6PTGS1
SCHEMBL5631180 0.84 PTGS1 (0.68) MAPTADRB2ADRB1CYP2D6PTGS1
SCHEMBL5630617 0.83 ADRB2 (0.49) MAPTADRB2ADRB1PTGS1SLC6A2
SCHEMBL14572743 0.81 MAPT (0.43) MAPTADRB2ADRB1CYP2D6PTGS1
SCHEMBL5630899 0.79 ADRB2 (0.52) MAPTADRB2ADRB1CYP2D6PTGS1
SCHEMBL11509194 0.76 ADRB2 (0.57) ADRB2ADRB1CYP2D6
SCHEMBL6222984 0.75 CARM1 (0.38) ADRB2ADRB1CYP2D6
SCHEMBL11507196 0.75 ADRB2 (0.66) MAPTADRB2ADRB1CYP2D6

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 4 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
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 MAPT 1575/4885ADRB2 4/4885ADRB1 5/4885

“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.

Send feedback