SCHEMBL5658096

SCHEMBL5658096

CCOC(=O)C1CCCCCCC1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.50
PSEN2 P49810 6/20 0.50
APH1B Q8WW43 6/20 0.50
NCSTN Q92542 6/20 0.50
APH1A Q96BI3 6/20 0.50
PSENEN Q9NZ42 6/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HTT P42858 1/20 0.40
JAK1 P23458 1/20 0.39
F9 P00740 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5658089 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5658093 1.00 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14539583 0.98 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5656187 0.95 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14539601 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4104420 0.83 TAS1R3 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14534581 0.82 TAS1R3 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12683535 0.81 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1HRH3HTT
SCHEMBL12894241 0.81 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1HRH3HTT
SCHEMBL27016744 0.81 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1HRH3HTT

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-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.