SCHEMBL5114366

SCHEMBL5114366

C=CCC(C(=O)O)N1CCC(CC(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
ACE P12821 3/20 0.42
FAAH O00519 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 5/20 0.34
MGLL Q99685 2/20 0.33
PPM1B O75688 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 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
SCHEMBL5114359 1.00 MME (0.45) MMEACEFAAHSMN1; SMN2BACE1
SCHEMBL5107129 0.86 BACE1 (0.35) MMEACEFAAHBACE1MGLL
SCHEMBL5108957 0.86 BACE1 (0.35) MMEACEFAAHBACE1MGLL
SCHEMBL5107124 0.86 BACE1 (0.35) MMEACEFAAHBACE1MGLL
SCHEMBL5107132 0.86 BACE1 (0.35) MMEACEFAAHBACE1MGLL
SCHEMBL5106156 0.82 ACE (0.46) ACEFAAHBACE1SLC6A2SLC6A3
SCHEMBL5106158 0.82 ACE (0.46) ACEFAAHBACE1SLC6A2SLC6A3
SCHEMBL4797908 0.79 ACE (0.55) MMEACEBACE1PPM1B
SCHEMBL4797895 0.79 ACE (0.55) MMEACEBACE1PPM1B
SCHEMBL8265802 0.79 ACE (0.55) MMEACEBACE1PPM1B

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-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 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-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome APP, BACE1, PSEN1 MME 340/4885ACE 28/4885FAAH 2534/4885

“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.