SCHEMBL14023045

SCHEMBL14023045

CC(C)(C)OC(=O)N1CCC(NC[C@H](O)COc2ccc3c(c2)[nH]c2ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.49
ADRB1 P08588 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ATF4 P18848 3/20 0.42
VCP P55072 1/20 0.41

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
SCHEMBL8263299 0.85 MCL1 (0.48) ALDH1A1VCP
SCHEMBL4902486 0.85 ADRB3 (0.65) ADRB3ADRB1KDM4EMAPTMAPK1
SCHEMBL4899642 0.85 ADRB3 (0.65) ADRB3ADRB1KDM4EMAPTMAPK1
SCHEMBL8263806 0.85 ADRB3 (0.65) ADRB3ADRB1KDM4EMAPTMAPK1
SCHEMBL4894572 0.84 MEN1 (0.58) ADRB3ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4894557 0.84 MEN1 (0.58) ADRB3ADRB1ALDH1A1KDM4EMEN1
SCHEMBL8183056 0.81 CYP3A4 (0.56) ALDH1A1KDM4EMEN1MITFMAPT
SCHEMBL4656378 0.78 GPR119 (0.52) ADRB3ADRB1ALDH1A1KDM4EMEN1
SCHEMBL8191425 0.78 HRH1 (0.59) ADRB3ADRB1ALDH1A1KDM4EMEN1
SCHEMBL4920538 0.78 ALDH1A1 (0.49) ADRB3ADRB1ALDH1A1KDM4EMEN1

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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 ADRB3 1/4885ADRB1 3/4885ALDH1A1 1034/4885

“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.