SCHEMBL14170405

SCHEMBL14170405

CCN1CCCCC(CN2CC(C)CCC(NC)C2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 4/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ CCR2 P41597 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ ADRA2C P18825 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ OPRM1 P35372 3/20 0.32
▸ OPRL1 P41146 3/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL14170424 0.96 CCR2 (0.36) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170002 0.88 CHRM5 (0.37) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170395 0.87 ACHE (0.35) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170172 0.86 CCR2 (0.38) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170437 0.86 ACHE (0.31) ACHEOPRM1OPRL1OPRK1
SCHEMBL14170414 0.86 ACHE (0.38) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170383 0.86 ACHE (0.38) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170364 0.86 CHRM5 (0.34) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170921 0.85 CCR2 (0.33) CHRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL14170391 0.85 CHRM2 (0.33) CHRM5CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 — — US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 — — 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-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 CHRM5 336/4885CHRM2 1330/4885CHRM4 1157/4885

“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.

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