SCHEMBL4888940

SCHEMBL4888940

CC(C)(C)NCC(O)COc1ccc(COCCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
OPRK1 P41145 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL4884431 0.93 LMNA (0.42) LMNANPY1RNPY2RKMT2AMAPT
SCHEMBL4884415 0.93 LMNA (0.42) LMNANPY1RNPY2RKMT2AMAPT
SCHEMBL4884425 0.93 LMNA (0.42) LMNANPY1RNPY2RKMT2AMAPT
SCHEMBL8266689 0.92 LMNA (0.44) LMNANPY1RNPY2RKMT2AMAPT
SCHEMBL4880298 0.91 KMT2A (0.43) LMNANPY1RNPY2RKMT2AMAPT
SCHEMBL4884907 0.90 ADRB1 (0.48) LMNANPY1RNPY2RKMT2AMAPT
SCHEMBL11704716 0.86 ADRB2 (0.50) LMNAKMT2AMAPTHTTMEN1
SCHEMBL7305413 0.86 LMNA (0.47) LMNANPY1RNPY2RKMT2AMAPT
Hydrochloric Acid SCHEMBL11706892 0.85 ADRB2 (0.49) LMNAKMT2AMAPTHTTMEN1
SCHEMBL14225880 0.85 LMNA (0.43) LMNANPY1RNPY2RKMT2AMAPT

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 2 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
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 LMNA 1122/4885NPY1R 211/4885NPY2R 165/4885

“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.