SCHEMBL21205899

SCHEMBL21205899

C#CCOC(=O)N1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
NFKB1 P19838 1/20 0.38
CHRM3 P20309 1/20 0.38
THPO P40225 1/20 0.38
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.34
GSTP1 P09211 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 2/20 0.33
GRM5 P41594 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4275238 0.85 ALDH1A1 (0.42) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL8311646 0.83 PTGDR2 (0.37) LMNANPC1GAATSHRALDH1A1
SCHEMBL12347952 0.81 ALDH1A1 (0.40) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL23254247 0.79 ALDH1A1 (0.42) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL158497 0.77 TSHR (0.55) LMNAGAATSHRALDH1A1MEN1
SCHEMBL21722426 0.76 CHRNB2 (0.41) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL21664800 0.76 CYP1A2 (0.45) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL2980367 0.76 CYP1A2 (0.42) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL4614113 0.76 CYP1A2 (0.36) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL4817856 0.76 TSHR (0.59) CYP1A2LMNATSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081729-B2 Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same LG CHEM, LTD. 2021-08-03 US disclosed
US-20200044287-A1 Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same LG CHEM, LTD. (KR) 2020-02-06 US disclosed
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

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-20200044287-A1 Non-aqueous Electrolyte Solution Additive, and Non-aqueous Electrolyte Solution for Lithium Secondary Battery and Lithium Secondary Battery which Include the Same LAGE3, KCNN2, CACNA1F CYP1A2 4366/4885CHRM2 1410/4885CHRM4 2358/4885
US-11081729-B2 Non-aqueous electrolyte solution additive, and non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery which include the same LAGE3, KCNN2, CACNA1F CYP1A2 4366/4885CHRM2 1410/4885CHRM4 2358/4885

“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.