SCHEMBL4798449

SCHEMBL4798449

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.41
ACE P12821 3/20 0.39
POLB P06746 2/20 0.38
PHGDH O43175 1/20 0.37
MME P08473 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN1A P35498 1/20 0.33
HTR2B P41595 1/20 0.33
MTOR P42345 1/20 0.33
SLC18A2 Q05940 1/20 0.33
SCN2A Q99250 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4798440 1.00 BACE1 (0.41) BACE1ACEPOLBPHGDHMME
SCHEMBL4798432 1.00 BACE1 (0.41) BACE1ACEPOLBPHGDHMME
SCHEMBL4797908 0.83 ACE (0.55) BACE1ACEPOLBMMEMAPT
SCHEMBL8265802 0.83 ACE (0.55) BACE1ACEPOLBMMEMAPT
SCHEMBL4797895 0.83 ACE (0.55) BACE1ACEPOLBMMEMAPT
SCHEMBL2083817 0.82 BACE1 (0.44) BACE1ACEPOLBPHGDHMAPT
SCHEMBL2083821 0.82 BACE1 (0.44) BACE1ACEPOLBPHGDHMAPT
SCHEMBL2083819 0.82 BACE1 (0.44) BACE1ACEPOLBPHGDHMAPT
SCHEMBL5107124 0.80 BACE1 (0.35) BACE1ACEPOLBMMEALDH1A1
SCHEMBL5107132 0.80 BACE1 (0.35) BACE1ACEPOLBMMEALDH1A1

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-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20060046984-A1 Novel gamma-lactams as beta-secretase inhibitors THOMPSON LORIN A III 2006-03-02 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-20060046984-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, BACE2, APP BACE1 1/4885ACE 86/4885POLB 1514/4885

“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.