Sugi Predict

Sugi Predict / Compounds / SCHEMBL23213338

SCHEMBL23213338

SCHEMBL23213338

CC(C)(O)COc1ccc(F)cc1C1CCN(C2COC3(CNC3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 8/20 0.53
▸ CHRM1 P11229 8/20 0.53
▸ CHRM2 P08172 2/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ HTR1A P08908 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ DRD2 P14416 4/20 0.35
▸ ADRA1D P25100 4/20 0.35
▸ ADRA1A P35348 4/20 0.35
▸ ADRA1B P35368 4/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ SSTR4 P31391 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
SCHEMBL23213335 1.00 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213218 0.92 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213214 0.92 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213439 0.89 CHRM1 (0.51) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL23213442 0.89 CHRM1 (0.51) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL23213173 0.89 CHRM4 (0.49) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213170 0.89 CHRM4 (0.49) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213346 0.86 CHRM4 (0.52) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL26781266 0.85 CHRM4 (0.53) CHRM4CHRM1CHRM2CHRM5HTR1A
SCHEMBL23213006 0.85 CHRM4 (0.68) CHRM4CHRM1CHRM2CHRM5HTR1A

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-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-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
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 CHRM4 4/4885CHRM1 2/4885CHRM2 1/4885
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CHRM4 4/4885CHRM1 2/4885CHRM2 1/4885
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CHRM4 4/4885CHRM1 2/4885CHRM2 1/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 CHRM4 4/4885CHRM1 2/4885CHRM2 1/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 CHRM4 4/4885CHRM1 2/4885CHRM2 1/4885

“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.