SCHEMBL25817223

SCHEMBL25817223

CC(=O)N1CC2(CC[C@@H](N3CCC(c4cc(C)c(C)c(C)c4O)CC3)C2)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 12/20 0.57
CHRM1 P11229 9/20 0.57
CHRM2 P08172 3/20 0.45
CHRM5 P08912 1/20 0.44
KCNH2 Q12809 3/20 0.35
SLC9A1 P19634 2/20 0.35
QDPR P09417 1/20 0.32
CCR2 P41597 3/20 0.32
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CREBBP Q92793 1/20 0.32
SETD2 Q9BYW2 1/20 0.31

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
SCHEMBL25817251 1.00 CHRM4 (0.57) CHRM4CHRM1CHRM2CHRM5KCNH2
SCHEMBL25817253 1.00 CHRM4 (0.57) CHRM4CHRM1CHRM2CHRM5KCNH2
SCHEMBL25817141 0.86 CHRM4 (0.46) CHRM4CHRM1CHRM2CHRM5KDM4E
SCHEMBL25817131 0.84 CHRM4 (0.39) CHRM4CHRM1CHRM2CHRM5
SCHEMBL25817226 0.82 CHRM4 (0.37) CHRM4CHRM1CHRM2CHRM5
SCHEMBL25817192 0.78 CHRM4 (0.47) CHRM4CHRM1CHRM2CHRM5KDM4E
SCHEMBL25817153 0.75 CHRM4 (0.45) CHRM4CHRM1CHRM2CHRM5KDM4E
SCHEMBL25817184 0.73 CHRM4 (0.38) CHRM4CHRM1CHRM2CHRM5
SCHEMBL26780894 0.73 CHRM4 (0.39) CHRM4CHRM1CHRM2CHRM5
SCHEMBL25817188 0.71 CHRM4 (0.37) CHRM4CHRM1CHRM2CHRM5

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.