SCHEMBL5657949

SCHEMBL5657949

COC(=O)[C@H]1CCC[C@H]1NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.62
PSEN2 P49810 6/20 0.62
APH1B Q8WW43 6/20 0.62
NCSTN Q92542 6/20 0.62
APH1A Q96BI3 6/20 0.62
PSENEN Q9NZ42 6/20 0.62
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
CNR2 P34972 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CPB1 P15086 1/20 0.37
SLC6A2 P23975 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL14542465 0.96 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14539601 0.94 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5656187 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24440114 0.82 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15494111 0.82 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29297310 0.80 CHRM2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14161205 0.80 CHRM2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14161210 0.80 CHRM2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14539583 0.79 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13598160 0.79 TAS1R3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION 2004-12-02 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-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives AADAT, PAM, BCAT2 PSEN1 3886/4885PSEN2 4080/4885APH1B 1360/4885

“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.