SCHEMBL496038

SCHEMBL496038

CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1F)[C@H](O)CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KLK5 Q9Y337 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.39
UGCG Q16739 3/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KDM4D Q6B0I6 1/20 0.36

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
SCHEMBL496036 1.00 SCN9A (0.40) SCN9AKDM4EKLK5SMN1; SMN2BACE1
SCHEMBL495862 0.79 KLK5 (0.60) KLK5CTSSCTSKL3MBTL1
SCHEMBL495864 0.79 KLK5 (0.60) KLK5CTSSCTSKL3MBTL1
SCHEMBL495686 0.78 KLK5 (0.59) KLK5CTSSCTSKL3MBTL1
SCHEMBL495688 0.78 KLK5 (0.59) KLK5CTSSCTSKL3MBTL1
SCHEMBL495715 0.78 SCN9A (0.49) SCN9AKDM4E
SCHEMBL495717 0.78 SCN9A (0.49) SCN9AKDM4E
SCHEMBL496309 0.75 KLK5 (0.44) SCN9AKLK5
SCHEMBL495865 0.75 KLK5 (0.43) SCN9AKLK5CTSSCTSK
SCHEMBL495863 0.75 KLK5 (0.43) SCN9AKLK5CTSSCTSK

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 SCN9A 467/4885KDM4E 2377/4885KLK5 3927/4885

“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.