SCHEMBL4888883

SCHEMBL4888883

CC(C)NC[C@@H](O)COc1ccc(CCOCCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRB2 P07550 2/20 0.49
GAA P10253 1/20 0.49
BLM P54132 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
NR3C1 P04150 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2J2 P51589 1/20 0.46
PDE4D Q08499 1/20 0.46
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4888887 1.00 ADRB1 (0.49) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL4888877 1.00 ADRB1 (0.49) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL4881191 0.95 ADRB1 (0.49) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL4884907 0.93 ADRB1 (0.48) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL14225880 0.92 LMNA (0.43) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL5630187 0.92 MAPT (0.50) ADRB1LMNACYP2D6KMT2AADRB2
SCHEMBL5655472 0.92 MAPT (0.50) ADRB1LMNACYP2D6KMT2AADRB2
SCHEMBL4884431 0.90 LMNA (0.42) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL4884415 0.90 LMNA (0.42) ADRB1LMNACYP2D6KMT2AMEN1
SCHEMBL4884425 0.90 LMNA (0.42) ADRB1LMNACYP2D6KMT2AMEN1

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 ADRB1 5/4885LMNA 1122/4885CYP2D6 1050/4885

“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.