SCHEMBL4890684

SCHEMBL4890684

CC(C)NC[C@H](O)COc1ccc(-c2ccccc2C(=O)NCCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.38
ADRB1 P08588 7/20 0.38
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
ADRB3 P13945 2/20 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 0.88 ADRB2 (0.43) ADRB2ADRB1KMT2AMAPTCYP3A4
SCHEMBL5631067 0.88 MAPT (0.44) ADRB2ADRB1KMT2AMAPTCYP2D6
SCHEMBL5630730 0.88 MAPT (0.44) ADRB2ADRB1KMT2AMAPTCYP2D6
SCHEMBL4884792 0.87 MAPT (0.39) ADRB2ADRB1KMT2AMAPTCYP2D6
SCHEMBL4890567 0.87 ABCB1 (0.49) ADRB2ADRB1CYP2D6CYP3A4
SCHEMBL8265350 0.86 ADRB2 (0.45) ADRB2ADRB1CYP2D6CYP3A4
SCHEMBL4881168 0.85 LMNA (0.41) ADRB2ADRB1KMT2AMAPTCYP3A4
SCHEMBL7335704 0.83 CYP3A4 (0.45) ADRB2ADRB1KMT2AMAPTCYP2D6
SCHEMBL5633240 0.82 LMNA (0.41) ADRB2ADRB1KMT2AMAPTCYP2D6
SCHEMBL4890601 0.81 CA12 (0.43) ADRB2ADRB1KMT2AMAPTMEN1

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 ADRB2 4/4885ADRB1 5/4885KMT2A 2928/4885

“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.