SCHEMBL25817115

SCHEMBL25817115

Cc1cc(C2CCN([C@@H]3CCC4(CNC4)C3)CC2)c(OCc2ccccc2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.41
CHRM1 P11229 6/20 0.41
CHRM2 P08172 3/20 0.38
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 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
SCHEMBL25817113 0.91 CHRM4 (0.42) CHRM4CHRM1CHRM2LMNAPSEN1
SCHEMBL26781060 0.84 CHRM4 (0.39) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL25817119 0.82 CHRM4 (0.49) CHRM4CHRM1CHRM2LMNACHRM5
SCHEMBL23210074 0.81 HTR1A (0.55) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL23210073 0.81 HTR1A (0.55) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL25817188 0.80 CHRM4 (0.37) CHRM4CHRM1CHRM2CHRM5
SCHEMBL23228726 0.79 SLC6A2 (0.51) CHRM4CHRM1CHRM2HTR1ASLC6A2
SCHEMBL25817226 0.77 CHRM4 (0.37) CHRM4CHRM1CHRM2CHRM5
SCHEMBL25817139 0.77 CHRM4 (0.44) CHRM4CHRM1CHRM2KDM4EMAPKAPK2
SCHEMBL26781047 0.76 CHRM4 (0.42) CHRM4CHRM1CHRM2LMNAPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 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 (1 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-20230212139-A1 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.