SCHEMBL4897725

SCHEMBL4897725

OC(CNC1CCNCC1)COc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 3/20 0.64
NPY1R P25929 1/20 0.54
ADRB2 P07550 4/20 0.51
ADRB1 P08588 4/20 0.51
ADRB3 P13945 4/20 0.51
CYP2D6 P10635 2/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4897711 1.00 MEN1 (0.64) MEN1KMT2ALMNANPY1RADRB2
SCHEMBL5768498 0.86 MEN1 (0.52) MEN1KMT2ALMNANPY1RADRB2
SCHEMBL7367153 0.86 KMT2A (0.67) MEN1KMT2ALMNANPY1RADRB2
SCHEMBL8182459 0.85 HRH1 (0.63) MEN1KMT2ALMNANPY1RADRB2
Hydrochloric Acid SCHEMBL4918589 0.85 KMT2A (0.54) MEN1KMT2ALMNANPY1RCYP2D6
SCHEMBL8179346 0.85 CYP3A4 (0.55) MEN1KMT2ALMNACYP2D6ALDH1A1
SCHEMBL4656901 0.82 LMNA (0.53) MEN1KMT2ALMNANPY1RADRB1
SCHEMBL4573726 0.82 KMT2A (0.60) MEN1KMT2ALMNANPY1RADRB2
SCHEMBL8181088 0.82 KMT2A (0.60) MEN1KMT2ALMNANPY1RADRB2
SCHEMBL25053044 0.81 ADRB1 (0.69) MEN1KMT2ALMNANPY1RADRB2

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 4700/4885LMNA 1155/4885

“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.