SCHEMBL495717

SCHEMBL495717

CC(C)(C)OC(=O)N[C@H](Cc1cc(F)ccc1F)[C@H](O)CN1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
PRMT5 O14744 12/20 0.47
WDR77 Q9BQA1 9/20 0.47
DRD2 P14416 4/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL495715 1.00 SCN9A (0.49) SCN9APRMT5WDR77DRD2KDM4E
SCHEMBL496319 0.84 KLK5 (0.54) PRMT5WDR77DRD2
SCHEMBL496318 0.84 KLK5 (0.54) PRMT5WDR77DRD2
SCHEMBL12635649 0.78 KLK5 (0.55) PRMT5WDR77DRD2
SCHEMBL496566 0.78 PRMT5 (0.51) PRMT5WDR77DRD2KDM4EMAPK1
SCHEMBL496038 0.78 SCN9A (0.40) SCN9AKDM4E
SCHEMBL496036 0.78 SCN9A (0.40) SCN9AKDM4E
Hydrochloric Acid SCHEMBL496305 0.77 PRMT5 (0.50) PRMT5WDR77DRD2KDM4EMAPK1
SCHEMBL495865 0.77 KLK5 (0.43) SCN9A
SCHEMBL495863 0.77 KLK5 (0.43) SCN9A

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 467/4885PRMT5 1142/4885WDR77 1223/4885

“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.