SCHEMBL4884792

SCHEMBL4884792

CC(C)NC[C@H](O)COc1ccc(C(C)C(=O)NCCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 4/20 0.37
ADRB1 P08588 4/20 0.37
ABCB1 P08183 1/20 0.37
LMNA P02545 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4887668 0.91 ADRB2 (0.43) MAPTKMT2AADRB2ADRB1ABCB1
SCHEMBL5631067 0.91 MAPT (0.44) MAPTKMT2AADRB2ADRB1ABCB1
SCHEMBL5630730 0.91 MAPT (0.44) MAPTKMT2AADRB2ADRB1ABCB1
SCHEMBL4890567 0.90 ABCB1 (0.49) ADRB2ADRB1ABCB1LMNANPY1R
SCHEMBL8265350 0.89 ADRB2 (0.45) ADRB2ADRB1ABCB1LMNANPY1R
SCHEMBL4881168 0.88 LMNA (0.41) MAPTKMT2AADRB2ADRB1ABCB1
SCHEMBL4890684 0.87 ADRB2 (0.38) MAPTKMT2AADRB2ADRB1ADRB3
SCHEMBL5633240 0.84 LMNA (0.41) MAPTKMT2AADRB2ADRB1LMNA
SCHEMBL5630860 0.84 LMNA (0.38) MAPTKMT2AADRB2ADRB1LMNA
SCHEMBL5630187 0.83 MAPT (0.50) MAPTKMT2AADRB2ADRB1LMNA

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 1 patent. 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 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 MAPT 1575/4885KMT2A 2928/4885ADRB2 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.