SCHEMBL4894572

SCHEMBL4894572

CC(C)(C)OC(=O)N1CCC(NCC(O)COc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
MITF O75030 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 3/20 0.56
ADRB2 P07550 4/20 0.49
ADRB1 P08588 4/20 0.49
ADRB3 P13945 4/20 0.49
GPR119 Q8TDV5 2/20 0.49
STS P08842 1/20 0.49
PKM P14618 1/20 0.49
USP30 Q70CQ3 1/20 0.48
DPP4 P27487 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4894557 1.00 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4920538 0.90 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8183056 0.88 CYP3A4 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4656378 0.88 GPR119 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8191425 0.88 HRH1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4573880 0.86 ADRB2 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8182207 0.86 ADRB2 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8265435 0.85 ADRB1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4901318 0.85 ADRB1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5799574 0.85 LMNA (0.61) MEN1KMT2AALDH1A1KDM4EMAPT

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 4 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
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO 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 MEN1 1432/4885KMT2A 4700/4885ALDH1A1 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.