SCHEMBL14171987

SCHEMBL14171987

CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ PARG Q86W56 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OPRL1 P41146 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 0.83 ACE (0.52) ACEMEN1ALDH1A1KMT2ATSHR
SCHEMBL14172005 0.81 ACE (0.41) ACEXIAPMEN1ALDH1A1KMT2A
SCHEMBL14171990 0.81 ACE (0.41) ACEALDH1A1MAPTHSD17B10PARG
SCHEMBL14171999 0.78 PDE1A (0.37) ACEPDE1APDE1BPDE1CPARG
SCHEMBL14172006 0.77 HTT (0.47) ACEXIAPHSD17B10LMNAOPRM1
SCHEMBL14172028 0.77 PARG (0.32) ACEPARG
SCHEMBL14171427 0.77 SIGMAR1 (0.42) XIAPMEN1ALDH1A1KMT2AKDM4A
SCHEMBL14171796 0.76 XIAP (0.39) XIAPMEN1ALDH1A1KMT2AKDM4A
SCHEMBL14172009 0.76 ACE (0.36) ACE
SCHEMBL14171859 0.76 XIAP (0.38) ACEXIAPMEN1ALDH1A1KMT2A

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 4 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
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 132/4885XIAP 3125/4885MEN1 1839/4885

“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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