SCHEMBL23210230

SCHEMBL23210230

OCCC(CCO)c1ccccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGFR P43088 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
SCN9A Q15858 2/20 0.33
VNN1 O95497 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIN1 Q05586 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
SCHEMBL29691204 1.00 KCNK3 (0.38) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL19633875 0.83 KCNK3 (0.38) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL21524345 0.79 KCNK3 (0.40) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL23212936 0.79 RORC (0.35) FFAR4HTTGAAALDH1A1
SCHEMBL19505951 0.78 DHFR (0.37) KCNK3KCNK9CYP2D6SLC6A2SLC6A4
SCHEMBL19508990 0.76 CYSLTR2 (0.40) KCNK3KCNK9CYP2D6SLC6A2SLC6A4
SCHEMBL28709564 0.76 KCNK3 (0.42) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL19505928 0.75 CYSLTR2 (0.39) KCNK3KCNK9CYP2D6SLC6A2SLC6A4
SCHEMBL21632009 0.73 PTGFR (0.46) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL1047240 0.73 KCNK3 (0.47) KCNK3KCNK9RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2024-10-22 US disclosed
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 US disclosed
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-01-10 US disclosed
EP-4041389-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
CN-114555592-A 2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed
US-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-04-15 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 (4 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-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 KCNK3 1076/4885KCNK9 1450/4885RXRA 225/4885
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 KCNK3 1076/4885KCNK9 1450/4885RXRA 225/4885
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 KCNK3 1076/4885KCNK9 1450/4885RXRA 225/4885
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 KCNK3 1076/4885KCNK9 1450/4885RXRA 225/4885

“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.