SCHEMBL4345849

SCHEMBL4345849

CCNC(=O)N1CCC(=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
HTT P42858 2/20 0.58
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.40
PKM P14618 1/20 0.40
MTNR1B P49286 3/20 0.39
MTNR1A P48039 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
Ethylene SCHEMBL8378170 0.96 KMT2A (0.64) KMT2AHTTFAAHCYP3A4CYP2D6
SCHEMBL10808716 0.85 KMT2A (0.53) KMT2AHTTMAPK1MEN1POLB
SCHEMBL2948216 0.79 KMT2A (0.62) KMT2AHTTFAAHCYP3A4CYP2D6
SCHEMBL19741751 0.79
SCHEMBL965286 0.79 KMT2A (0.82) KMT2AHTTMAPK1RAB9APOLB
SCHEMBL17273858 0.77 KMT2A (0.78) KMT2AHTTMAPK1RAB9AMEN1
SCHEMBL4803949 0.77 KMT2A (0.78) KMT2AHTTMAPK1RAB9AMEN1
SCHEMBL966438 0.77 KMT2A (0.78) KMT2AHTTMAPK1RAB9AMEN1
SCHEMBL13674468 0.75 KMT2A (0.83) KMT2AHTTFAAHCYP3A4CYP2D6
SCHEMBL962662 0.75 KMT2A (0.75) KMT2AHTTPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763623-B2 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION (US) 2010-07-27 US disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
WO-2007087204-A2 HETEROCYCLES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYYSLIPIDEMIA SCHERING CORPOORATION (US) 2007-08-02 WO disclosed
US-20070173495-A1 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION 2007-07-26 US disclosed
US-20070173495-A1 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION 2007-07-26 US disclosed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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 (3 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-20070173495-A1 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia GPR119, HCAR1, LDLR KMT2A 3399/4885HTT 478/4885FAAH 953/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A KMT2A 2690/4885HTT 4837/4885FAAH 1933/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A KMT2A 2690/4885HTT 4837/4885FAAH 1933/4885

“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.