SCHEMBL2539677

SCHEMBL2539677

CCCOC(=O)N(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.39
CHRNA4 P43681 6/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CHRM1 P11229 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16965814 0.88 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1CHRM1CHRM2
SCHEMBL8908299 0.87 ALDH1A1 (0.50) CHRNB2CHRNA4HCAR2ALDH1A1LMNA
SCHEMBL16965714 0.84 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1CHRM1CHRM2
SCHEMBL304328 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10
SCHEMBL22648839 0.81 TSHR (0.41) ALDH1A1TSHRHSD17B10
SCHEMBL12989195 0.80 CHRNB2 (0.38) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL12989136 0.80 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1CHRM1CHRM2
SCHEMBL23517942 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL13195865 0.77 CHRNB2 (0.36) CHRNB2CHRNA4HCAR2ALDH1A1CHRM1
SCHEMBL10672473 0.77 HCAR2 (0.34) CHRNB2CHRNA4HCAR2ALDH1A1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3518334-A1 NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE, NON-AQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY, COMPRISING NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE LG Chem, Ltd. (KR) 2019-07-31 EP disclosed
US-9776982-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2017-10-03 US disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CHRNB2 217/4885CHRNA4 110/4885HCAR2 20/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 CHRNB2 299/4885CHRNA4 169/4885HCAR2 17/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRNB2 16/4885CHRNA4 14/4885HCAR2 88/4885

“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.