SCHEMBL496309

SCHEMBL496309

CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
SCN9A Q15858 2/20 0.42
GPR119 Q8TDV5 1/20 0.40
DPP4 P27487 7/20 0.37
KCNH2 Q12809 3/20 0.37
FAP Q12884 3/20 0.37
DPP7 Q9UHL4 2/20 0.36
DPP9 Q86TI2 2/20 0.36
ACE P12821 1/20 0.36
PREP P48147 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CMA1 P23946 5/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL496310 0.91 GPR119 (0.43) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL495890 0.85 DPP4 (0.45) DPP4KCNH2FAPDPP7DPP9
SCHEMBL495892 0.85 DPP4 (0.45) DPP4KCNH2FAPDPP7DPP9
Hydrochloric Acid SCHEMBL496004 0.84 DPP4 (0.44) DPP4KCNH2FAPDPP7DPP9
Hydrochloric Acid SCHEMBL496003 0.84 DPP4 (0.44) DPP4KCNH2FAPDPP7DPP9
SCHEMBL496314 0.83 KLK5 (0.63) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL495863 0.76 KLK5 (0.43) KLK5SCN9AGPR119DPP4DPP7
SCHEMBL495865 0.76 KLK5 (0.43) KLK5SCN9AGPR119DPP4DPP7
SCHEMBL496197 0.75 SCN9A (0.42) KLK5SCN9AGPR119DPP4DPP7
SCHEMBL496196 0.75 SCN9A (0.42) KLK5SCN9AGPR119DPP4DPP7

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 3927/4885ADORA3 223/4885ADORA2A 1170/4885

“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.