SCHEMBL14171990

SCHEMBL14171990

CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.41
▸ SULT1E1 P49888 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PARG Q86W56 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL14172003 0.85 ACE (0.52) ACEALDH1A1TSHR
SCHEMBL14172005 0.82 ACE (0.41) ACEALDH1A1MAPTCYP3A4TSHR
SCHEMBL14171987 0.81 ACE (0.39) ACEALDH1A1MAPTPARGHSD17B10
SCHEMBL14172006 0.79 HTT (0.47) ACECYP3A4HSD17B10CHRM2CHRM1
SCHEMBL14172029 0.79 ACE (0.33) ACESULT1E1TSHR
SCHEMBL14172002 0.78 ACE (0.35) ACEPARG
SCHEMBL14171969 0.78 ACE (0.39) ACE
SCHEMBL14171997 0.77 ACE (0.37) ACEPARGTSHR
SCHEMBL14171988 0.77 ACE (0.37) ACEPARG
SCHEMBL14171857 0.77 ACE (0.39) ACEMAPTCHRM2CHRM1CHRM3

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 3 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-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 ACE 132/4885SULT1E1 3207/4885ALDH1A1 2775/4885

“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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