SCHEMBL495899

SCHEMBL495899

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
KLK5 Q9Y337 3/20 0.64
ACE P12821 1/20 0.51
CMA1 P23946 7/20 0.47
APP P05067 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
REN P00797 1/20 0.46
MAPK1 P28482 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL495900 1.00 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496474 0.90 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496475 0.90 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496314 0.90 KLK5 (0.63) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496315 0.87 KLK5 (0.60) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496157 0.87 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496156 0.87 KLK5 (0.61) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL495742 0.86 KLK5 (0.62) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL9581380 0.85 KLK5 (0.59) ADORA3ADORA2AADORA2BADORA1KLK5
SCHEMBL496244 0.84 KLK5 (0.63) ADORA3ADORA2AADORA2BADORA1KLK5

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 ADORA3 223/4885ADORA2A 1170/4885ADORA2B 834/4885

“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.