SCHEMBL496319

SCHEMBL496319

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CN1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.54
DRD2 P14416 4/20 0.52
PRMT5 O14744 11/20 0.50
WDR77 Q9BQA1 10/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL496318 1.00 KLK5 (0.54) KLK5DRD2PRMT5WDR77POLB
SCHEMBL12635649 0.94 KLK5 (0.55) KLK5DRD2PRMT5WDR77POLB
SCHEMBL496108 0.93 KLK5 (0.57) KLK5PRMT5WDR77
SCHEMBL496107 0.93 KLK5 (0.57) KLK5PRMT5WDR77
SCHEMBL12635676 0.85 KLK5 (0.50) KLK5PRMT5WDR77
SCHEMBL12635456 0.85 KLK5 (0.50) KLK5PRMT5WDR77
SCHEMBL12635437 0.85 KLK5 (0.50) KLK5PRMT5WDR77
SCHEMBL495862 0.85 KLK5 (0.60) KLK5
SCHEMBL495864 0.85 KLK5 (0.60) KLK5
SCHEMBL12635445 0.85 KLK5 (0.49) KLK5

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 3927/4885DRD2 277/4885PRMT5 1142/4885

“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.