SCHEMBL496310

SCHEMBL496310

CC(C)CNC(=O)C1CCCN1C[C@@H](O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
KLK5 Q9Y337 1/20 0.42
SCN9A Q15858 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
DPP4 P27487 4/20 0.40
KCNH2 Q12809 3/20 0.40
FAP Q12884 3/20 0.40
PREP P48147 1/20 0.39
DPP9 Q86TI2 1/20 0.39
REN P00797 4/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CMA1 P23946 3/20 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
SCHEMBL496309 0.91 KLK5 (0.44) GPR119KLK5SCN9AADORA3ADORA2A
SCHEMBL496315 0.83 KLK5 (0.60) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL495892 0.76 DPP4 (0.45) DPP4KCNH2FAPPREPDPP9
SCHEMBL495890 0.76 DPP4 (0.45) DPP4KCNH2FAPPREPDPP9
SCHEMBL496474 0.76 KLK5 (0.61) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL496475 0.76 KLK5 (0.61) KLK5ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL496003 0.75 DPP4 (0.44) DPP4KCNH2FAPPREPDPP9
Hydrochloric Acid SCHEMBL496004 0.75 DPP4 (0.44) DPP4KCNH2FAPPREPDPP9
SCHEMBL496196 0.75 SCN9A (0.42) GPR119KLK5SCN9ADPP4DPP9
SCHEMBL496197 0.75 SCN9A (0.42) GPR119KLK5SCN9ADPP4DPP9

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 GPR119 4/4885KLK5 3927/4885SCN9A 467/4885

“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.