SCHEMBL2760935

SCHEMBL2760935

NC(=O)C1c2cc(N)ccc2CC1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 3/20 0.34
THRB P10828 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GFER P55789 1/20 0.34
YWHAG P61981 1/20 0.34
CA9 Q16790 2/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC18A3 Q16572 1/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
NR1H2 P55055 1/20 0.31
PDK2 Q15119 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC10A2 Q12908 1/20 0.30

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
SCHEMBL2760934 1.00 MEN1 (0.34) MEN1MAPTKMT2AKDM4ETHRB
SCHEMBL4872494 0.84 BRD4 (0.37) MEN1MAPTKMT2AKDM4ECA9
SCHEMBL4652825 0.82 OPRM1 (0.33) OPRM1
SCHEMBL4652845 0.80 NAMPT (0.32) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL5732698 0.80 KDM4E (0.33) KDM4EHSD17B10OPRM1TDP1ALDH1A1
SCHEMBL4652467 0.80 NAMPT (0.32) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL5434554 0.80 NAMPT (0.32) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL4652630 0.80 KDM4E (0.33) KDM4EHSD17B10OPRM1TDP1ALDH1A1
SCHEMBL4651588 0.80 KDM4E (0.33) KDM4EHSD17B10OPRM1TDP1ALDH1A1
SCHEMBL2760981 0.78 CHRNB2 (0.46) MEN1MAPTKMT2ACHRNB2CHRNA4

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
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed
EP-1534667-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2010-12-15 EP disclosed
US-7378447-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
US-7160922-B2 Hemihydrate of a selective functional M1 muscarine receptor agonist ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 US disclosed
US-20060122280-A1 Muscarinic agonists ELI LILLY AND COMPANY (US) 2006-06-08 US disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
EP-1534667-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-06-01 EP disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2004018411-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 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-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 MEN1 276/4885MAPT 2892/4885KMT2A 2193/4885
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 MEN1 1993/4885MAPT 687/4885KMT2A 917/4885
US-20060122280-A1 Muscarinic agonists CHRM3, CHRM4, CHRM5 MEN1 2272/4885MAPT 2958/4885KMT2A 1268/4885

“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.