SCHEMBL23230076

SCHEMBL23230076

c1ccc(COc2ccccc2C2CCN([C@@H]3COC4(CNC4)C3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.53
SLC6A2 P23975 7/20 0.53
SLC6A4 P31645 7/20 0.53
SLC6A3 Q01959 6/20 0.53
CHRM4 P08173 7/20 0.48
CHRM1 P11229 7/20 0.48
CHRM2 P08172 2/20 0.42
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL23213409 0.91 CHRM4 (0.50) HTR1ASLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL29619696 0.91 CHRM4 (0.50) HTR1ASLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL23213411 0.91 CHRM4 (0.50) HTR1ASLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL29619705 0.84 CHRM4 (0.66) CHRM4CHRM1CHRM2HTR2CMEN1
SCHEMBL29619706 0.84 CHRM4 (0.66) CHRM4CHRM1CHRM2HTR2CMEN1
SCHEMBL23213679 0.84 CHRM4 (0.66) CHRM4CHRM1CHRM2HTR2CMEN1
SCHEMBL23213674 0.84 CHRM4 (0.66) CHRM4CHRM1CHRM2HTR2CMEN1
SCHEMBL23213439 0.83 CHRM1 (0.51) HTR1ASLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL23213442 0.83 CHRM1 (0.51) HTR1ASLC6A2SLC6A4SLC6A3CHRM4
SCHEMBL23213485 0.82 CHRM4 (0.53) HTR1ASLC6A2SLC6A4SLC6A3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 HTR1A 274/4885SLC6A2 1330/4885SLC6A4 1286/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 HTR1A 277/4885SLC6A2 1341/4885SLC6A4 1311/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 HTR1A 274/4885SLC6A2 1330/4885SLC6A4 1286/4885

“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.