SCHEMBL23213271

SCHEMBL23213271

Cc1ccc(S(=O)(=O)OCCC(CCOS(=O)(=O)c2ccc(C)cc2)c2ccccc2C2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
HTR6 P50406 4/20 0.39
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
VDR P11473 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL23213256 0.95 CFTR (0.37) CFTRHTR6CYP1A2CYP2D6ALDH1A1
SCHEMBL23210214 0.76 VDR (0.38) CYP1A2CYP2D6ALDH1A1CA12CA1
SCHEMBL7840144 0.73 ALDH1A1 (0.43) CYP1A2CYP2D6ALDH1A1CA12CA1
SCHEMBL766879 0.72 CA12 (0.41) CFTRCYP1A2CYP2D6CA12CA1
SCHEMBL23210224 0.71 BCHE (0.37) ALDH1A1CA12CA1CA9LMNA
SCHEMBL29843880 0.71 BCHE (0.37) ALDH1A1CA12CA1CA9LMNA
SCHEMBL25817316 0.71 GAA (0.41) CYP1A2ALDH1A1CA12CA1CA9
SCHEMBL23212930 0.71 ALDH1A1 (0.36) CYP2D6ALDH1A1CA12CA1CA9
SCHEMBL23295192 0.71 OPRL1 (0.35) ALDH1A1
SCHEMBL2566829 0.71 CA12 (0.43) CFTRCYP1A2CYP2D6ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2024-05-02 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-12-29 US disclosed
US-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2022-11-01 US disclosed
EP-4041737-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-05-06 US disclosed
WO-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 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 (5 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-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 CFTR 450/4885HTR6 515/4885CYP1A2 568/4885
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CFTR 450/4885HTR6 515/4885CYP1A2 568/4885
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CFTR 450/4885HTR6 515/4885CYP1A2 568/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CFTR 439/4885HTR6 523/4885CYP1A2 561/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 CFTR 450/4885HTR6 515/4885CYP1A2 568/4885

“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.