SCHEMBL2797733

SCHEMBL2797733

O[C]1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALOX15 P16050 3/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 2/20 0.48
IDO1 P14902 2/20 0.48
BCHE P06276 1/20 0.48
PTPRC P08575 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
PTPN1 P18031 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
PTPN22 Q9Y2R2 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
SCHEMBL958187 0.80 LMNA (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL3769766 0.78 MEN1 (0.55) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL28304170 0.74 LMNA (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL29752528 0.74 LMNA (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL4832141 0.74 MEN1 (0.41) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL4832146 0.74 MEN1 (0.41) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL9207977 0.74 GPR84 (0.42) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL9207972 0.74 GPR84 (0.42) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL2797818 0.74 MEN1 (0.45) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL5921807 0.73 LMNA (0.50) LMNAMAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1811999-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-09-15 EP claimed
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PRESS NEIL JOHN 2010-07-01 US claimed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US claimed
EP-1811999-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-08-01 EP claimed
WO-2006048225-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2006-05-11 WO claimed
US-8084463-B2 Quinuclidine derivatives and their use as muscarinic M3 receptor antagonists NOVARTIS AG (CH) 2011-12-27 US disclosed
EP-1811999-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-09-15 EP disclosed
EP-2206499-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2010-07-14 EP disclosed
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PRESS NEIL JOHN 2010-07-01 US disclosed
US-7723356-B2 Quinuclidine derivatives and their use as muscarinic m3 receptor antagonists NOVARTIS AG (CH) 2010-05-25 US disclosed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1811999-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-08-01 EP disclosed
WO-2006048225-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2006-05-11 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 (2 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-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases CHRM3, CHRM2, CHRM1 LMNA 3536/4885MAPT 3789/4885MEN1 4480/4885
US-20100168132-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 LMNA 3301/4885MAPT 2922/4885MEN1 2183/4885

“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.