SCHEMBL21664800

SCHEMBL21664800

C#CCOC(=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
NFKB1 P19838 1/20 0.45
CHRM3 P20309 1/20 0.45
THPO P40225 1/20 0.45
LMNA P02545 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.39
GAA P10253 2/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.38

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 0.90 ALDH1A1 (0.42) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL12347952 0.82 ALDH1A1 (0.40) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL23254247 0.81 ALDH1A1 (0.42) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL21205956 0.80 ALDH1A1 (0.37) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL12293104 0.79 GAA (0.47) CHRM1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL18588188 0.79 TDP1 (0.39) CYP1A2LMNATDP1ALDH1A1HTT
SCHEMBL847825 0.78 ALDH1A1 (0.62) CYP1A2LMNATDP1ALDH1A1HTT
SCHEMBL9153460 0.78 ALDH1A1 (0.62) CYP1A2LMNATDP1ALDH1A1HTT
SCHEMBL21722426 0.78 CHRNB2 (0.41) CYP1A2CHRM2CHRM4CHRM5CYP2D6
SCHEMBL2980367 0.78 CYP1A2 (0.42) CYP1A2CHRM2CHRM4CHRM5CYP2D6

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
EP-3518334-B1 NON-AQUEOUS ELECTROLYTE SOLUTION ADDITIVE, NON-AQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY COMPRISING SAID ADDITIVE LG CHEMICAL LTD (KR) 2021-04-21 EP 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

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.