SCHEMBL14172006

SCHEMBL14172006

CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ OPRM1 P35372 2/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ ACE P12821 1/20 0.42
▸ XIAP P98170 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL14172005 0.86 ACE (0.41) HTTLMNAOPRM1OPRL1ACE
SCHEMBL14172003 0.86 ACE (0.52) ACESMN1; SMN2
SCHEMBL14172012 0.81 OPRM1 (0.39) OPRM1OPRL1ACE
SCHEMBL14172011 0.80 ACE (0.38) OPRM1OPRL1ACE
SCHEMBL14171990 0.79 ACE (0.41) HSD17B10ACECYP3A4CHRM2CHRM1
SCHEMBL14172004 0.78 XIAP (0.41) LMNAOPRM1OPRL1ACEXIAP
SCHEMBL14172036 0.78 AR (0.39) HTTLMNAHSD17B10CHRNB2CHRNA4
SCHEMBL14171424 0.78 KDM4E (0.50) HTTLMNAOPRM1OPRL1KDM4E
SCHEMBL14171775 0.77 OPRM1 (0.46) HTTLMNAHSD17B10OPRM1OPRL1
SCHEMBL14172008 0.77 ACE (0.36) OPRM1OPRL1ACE

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 HTT 49/4885LMNA 2174/4885HSD17B10 2013/4885

“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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