SCHEMBL496025

SCHEMBL496025

CN(CCc1ccccc1)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.57
PSEN1 P49768 10/20 0.55
PSEN2 P49810 10/20 0.55
APH1B Q8WW43 10/20 0.55
NCSTN Q92542 10/20 0.55
APH1A Q96BI3 10/20 0.55
PSENEN Q9NZ42 10/20 0.55
ATM Q13315 1/20 0.48
APP P05067 1/20 0.48
CTSS P25774 1/20 0.47

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
SCHEMBL496027 1.00 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7311951 0.90 KLK5 (0.60) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496429 0.89 PSEN1 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496428 0.89 PSEN1 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL14089054 0.89 PSEN1 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496481 0.87 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496479 0.87 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8266365 0.85 KLK5 (0.55) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496051 0.84 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496052 0.84 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN

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
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 KLK5 3927/4885PSEN1 3565/4885PSEN2 4157/4885

“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.