SCHEMBL4696097

SCHEMBL4696097

NC(Cc1ccccc1)C(O)CN1CCCC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.51
F2 P00734 2/20 0.51
LTA4H P09960 5/20 0.46
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL15062947 1.00 ACE (0.51) ACEF2LTA4HDPP4DPP8
SCHEMBL495815 0.91 F2 (0.52) ACEF2DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL496048 0.90 F2 (0.53) ACEF2DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4788845 0.90 F2 (0.53) ACEF2DPP4DPP8DPP9
SCHEMBL10447086 0.88 F2 (0.62) ACEF2LTA4HDPP4DPP8
SCHEMBL10447085 0.88 F2 (0.62) ACEF2LTA4HDPP4DPP8
SCHEMBL7292641 0.86 F2 (0.53) ACEF2CYP2C19ADORA3ADORA2A
SCHEMBL7290804 0.86 F2 (0.68) F2CYP2C19
SCHEMBL4695244 0.85 F2 (0.57) ACEF2CYP2C19ADORA3ADORA2A
SCHEMBL8241847 0.85 F2 (0.52) ACEF2LTA4HDPP4DPP8

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 8 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 claimed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US claimed
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP claimed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO claimed
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO 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 ACE 192/4885F2 3381/4885LTA4H 1356/4885

“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.