SCHEMBL495892

SCHEMBL495892

CC(C)(C)NC(=O)[C@@H]1CCCN1CC(O)C(N)Cc1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.45
DPP7 Q9UHL4 11/20 0.45
DPP8 Q6V1X1 12/20 0.43
DPP9 Q86TI2 13/20 0.42
KCNH2 Q12809 3/20 0.41
FAP Q12884 3/20 0.41
PREP P48147 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL495890 1.00 DPP4 (0.45) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL496004 0.99 DPP4 (0.44) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL496003 0.99 DPP4 (0.44) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL496309 0.85 KLK5 (0.44) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL8241847 0.80 F2 (0.52) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL495583 0.79 F2 (0.54) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL495585 0.79 F2 (0.54) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL7277287 0.77 F2 (0.49) KCNH2F2
SCHEMBL496310 0.76 GPR119 (0.43) DPP4DPP9KCNH2FAPPREP
SCHEMBL495544 0.72 DPP4 (0.48) DPP4DPP7DPP8DPP9

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 DPP4 1/4885DPP7 6/4885DPP8 9/4885

“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.