SCHEMBL4890601

SCHEMBL4890601

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ADRB1 P08588 4/20 0.38
ADRB2 P07550 3/20 0.38
ADRB3 P13945 2/20 0.38
HTR1A P08908 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4890599 1.00 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL4890605 1.00 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL4888994 0.91 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL4883182 0.89 KMT2A (0.40) KMT2AMEN1HTTADRB1ADRB2
SCHEMBL4895616 0.84 CYP2D6 (0.41) KMT2AADRB1ADRB2ADRB3MAPT
SCHEMBL4895619 0.84 CYP2D6 (0.41) KMT2AADRB1ADRB2ADRB3MAPT
SCHEMBL11704716 0.84 ADRB2 (0.50) KMT2AMEN1HTTADRB1ADRB2
Hydrochloric Acid SCHEMBL11706892 0.83 ADRB2 (0.49) KMT2AMEN1HTTADRB1ADRB2
SCHEMBL7335704 0.83 CYP3A4 (0.45) KMT2AMEN1ADRB1ADRB2ADRB3
SCHEMBL4887668 0.82 ADRB2 (0.43) KMT2AADRB1ADRB2MAPTLMNA

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 CA12 2764/4885CA1 1611/4885CA2 526/4885

“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.