SCHEMBL495688

SCHEMBL495688

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.59
CTSL P07711 2/20 0.50
REN P00797 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
ATM Q13315 1/20 0.48
APP P05067 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
ACE P12821 1/20 0.46

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
SCHEMBL495686 1.00 KLK5 (0.59) KLK5CTSLRENL3MBTL1PSEN1
SCHEMBL495862 0.99 KLK5 (0.60) KLK5CTSLRENL3MBTL1PSEN1
SCHEMBL495864 0.99 KLK5 (0.60) KLK5CTSLRENL3MBTL1PSEN1
SCHEMBL495781 0.89 KLK5 (0.55) KLK5CTSLRENPSEN1PSEN2
SCHEMBL495779 0.89 KLK5 (0.55) KLK5CTSLRENPSEN1PSEN2
SCHEMBL12635649 0.87 KLK5 (0.55) KLK5RENPSEN1PSEN2APH1B
SCHEMBL496108 0.87 KLK5 (0.57) KLK5CTSLRENPSEN1PSEN2
SCHEMBL496107 0.87 KLK5 (0.57) KLK5CTSLRENPSEN1PSEN2
SCHEMBL495732 0.86 KLK5 (0.57) KLK5RENPSEN1PSEN2APH1B
SCHEMBL495731 0.86 KLK5 (0.57) KLK5RENPSEN1PSEN2APH1B

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 3927/4885CTSL 2157/4885REN 21/4885

“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.