SCHEMBL4890567

SCHEMBL4890567

CC(C)NCC(O)COc1ccc(CCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ADRA1A P35348 2/20 0.41
PMP22 Q01453 2/20 0.41
NR3C1 P04150 1/20 0.41
CYP2J2 P51589 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL8265350 0.95 ADRB2 (0.45) ABCB1CA12CA1CA2CA9
SCHEMBL4887668 0.93 ADRB2 (0.43) ABCB1ADRB2ADRB1CYP1A2CYP3A4
SCHEMBL4881168 0.93 LMNA (0.41) ABCB1ADRB2ADRB1CYP1A2CYP3A4
SCHEMBL5630730 0.92 MAPT (0.44) ABCB1ADRB2ADRB1CYP2D6CYP3A4
SCHEMBL5631067 0.92 MAPT (0.44) ABCB1ADRB2ADRB1CYP2D6CYP3A4
SCHEMBL4888994 0.91 CA12 (0.43) CA12CA1CA2CA9CYP2D6
SCHEMBL4884792 0.90 MAPT (0.39) ABCB1ADRB2ADRB1CYP2D6CYP1A2
SCHEMBL4881191 0.89 ADRB1 (0.49) ADRB2ADRB1CYP2D6CYP1A2GAA
SCHEMBL4890684 0.87 ADRB2 (0.38) ADRB2ADRB1CYP2D6CYP3A4
SCHEMBL5633240 0.86 LMNA (0.41) ADRB2ADRB1CYP2D6CYP1A2CYP2C9

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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US claimed
EP-1830852-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2007-09-12 EP claimed
WO-2006060127-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO claimed
US-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US disclosed
EP-1830852-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2007-09-12 EP disclosed
WO-2006060127-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ADRB3, PDE3A, PDE3B ABCB1 947/4885CA12 2764/4885CA1 1611/4885

“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.