SCHEMBL495728

SCHEMBL495728

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.72
KLK5 Q9Y337 3/20 0.61
BACE1 P56817 9/20 0.60
BCHE P06276 7/20 0.60
SLC6A11 P48066 1/20 0.60

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
SCHEMBL4809494 1.00 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL30318989 1.00 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL22192884 1.00 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL495727 1.00 ATM (0.72) ATMKLK5BACE1BCHESLC6A11
SCHEMBL7309908 0.94 KLK5 (0.65) ATMKLK5BACE1BCHESLC6A11
SCHEMBL30318978 0.93 BACE1 (0.71) ATMKLK5BACE1BCHESLC6A11
SCHEMBL5223284 0.90 KLK5 (0.61) ATMKLK5BACE1BCHE
SCHEMBL7309398 0.90 KLK5 (0.61) ATMKLK5BACE1BCHE
SCHEMBL7303561 0.90 KLK5 (0.61) ATMKLK5BACE1BCHE
SCHEMBL5223289 0.90 KLK5 (0.61) ATMKLK5BACE1BCHE

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 ATM 4603/4885KLK5 3927/4885BACE1 853/4885

“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.