SCHEMBL317558

SCHEMBL317558

C[N+](C)(C)CCCCCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
LMNA P02545 5/20 0.69
APEX1 P27695 3/20 0.69
NFKB1 P19838 2/20 0.69
KDM4E B2RXH2 2/20 0.69
ACHE P22303 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
PMP22 Q01453 2/20 0.69
HSD17B10 Q99714 2/20 0.69
HRH3 Q9Y5N1 1/20 0.69
TSHR P16473 1/20 0.69
RAB9A P51151 1/20 0.69
NPSR1 Q6W5P4 1/20 0.65
DNM1 Q05193 6/20 0.55
CYP3A4 P08684 1/20 0.53
SLC5A7 Q9GZV3 1/20 0.53
APAF1 O14727 1/20 0.50
HSP90AA1 P07900 1/20 0.50
RAD52 P43351 1/20 0.50

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
SCHEMBL5029262 1.00 MEN1 (0.69) MEN1KMT2ALMNAAPEX1NFKB1
SCHEMBL27892330 1.00 MEN1 (0.69) MEN1KMT2ALMNAAPEX1NFKB1
SCHEMBL10596619 1.00 MEN1 (0.69) MEN1KMT2ALMNAAPEX1NFKB1
SCHEMBL10596463 1.00 MEN1 (0.69) MEN1KMT2ALMNAAPEX1NFKB1
SCHEMBL15055195 1.00 MEN1 (0.69) MEN1KMT2ALMNAAPEX1NFKB1
SCHEMBL10597103 1.00 MEN1 (0.69) MEN1KMT2ALMNAAPEX1NFKB1
Hydrochloric Acid SCHEMBL2042679 0.97 APEX1 (0.71) MEN1KMT2ALMNAAPEX1NFKB1
Fluoride Ion SCHEMBL9761143 0.97 MEN1 (0.65) MEN1KMT2ALMNAAPEX1NFKB1
Bromide SCHEMBL2355631 0.97 MEN1 (0.71) MEN1KMT2ALMNAAPEX1NFKB1
Bromide SCHEMBL28865464 0.97 MEN1 (0.71) MEN1KMT2ALMNAAPEX1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592458-B2 Alpha7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-11-26 US claimed
US-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 US claimed
US-8093269-B2 Alpha 7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-01-10 US claimed
US-20090215705-A1 Alpha 7 Nicotinic Receptor Selective Ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-08-27 US claimed
EP-1891036-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS University of Florida Research Foundation, Inc. (US) 2008-02-27 EP claimed
WO-2006133303-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-12-14 WO claimed
EP-0122151-B1 PRODUCTION OF PRIMARY OR SECONDARY ALCOHOL DERIVATIVES OF PHOSPHOLIPIDS BY THE ENZYMATIC TECHNIQUE MEITO SANGYO KABUSHIKI KAISHA (JP) 1989-02-15 EP claimed
US-8592458-B2 Alpha7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-11-26 US disclosed
US-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 US disclosed
US-8093269-B2 Alpha 7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-01-10 US disclosed
US-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE` (FR) 2010-11-18 US disclosed
US-20090215705-A1 Alpha 7 Nicotinic Receptor Selective Ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-08-27 US disclosed
EP-1891036-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS University of Florida Research Foundation, Inc. (US) 2008-02-27 EP disclosed
WO-2006133303-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-12-14 WO disclosed
US-20020173489-A1 COMPOSITIONS CONTAINING A MIXTURE OF PHOSPHOROUS COMPOUNDS AND ALKYLGLYCEROLS MAX-PLANCK-GESSELSCHAFT ZUR FORDERUNG DER WISSENSCHAFTER E.V. (DE) 2002-11-21 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 (4 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-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis NPY1R, CNKSR1, NPBWR1 MEN1 1628/4885KMT2A 4277/4885LMNA 3555/4885
US-20090215705-A1 Alpha 7 Nicotinic Receptor Selective Ligands CHRNA7, CHRNA10, CHRNA5 MEN1 3799/4885KMT2A 2858/4885LMNA 4208/4885
US-20020173489-A1 COMPOSITIONS CONTAINING A MIXTURE OF PHOSPHOROUS COMPOUNDS AND ALKYLGLYCEROLS PHOSPHO1, PLCG2, PPIP5K2 MEN1 542/4885KMT2A 3584/4885LMNA 3263/4885
US-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS CHRNA7, CHRNA10, CHRNA5 MEN1 3799/4885KMT2A 2858/4885LMNA 4208/4885

“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.