SCHEMBL2846885

SCHEMBL2846885

N#CC1=CC(F)(F)CN1C(=O)CNC12CC3CC(C1)CC(NCc1nccs1)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 13/20 0.41
DPP9 Q86TI2 13/20 0.41
GLMN Q92990 3/20 0.41
DPP4 P27487 4/20 0.36
EPHX2 P34913 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL2849696 0.80 DPP4 (0.45) DPP8DPP9DPP4FAP
SCHEMBL2846106 0.69 DPP4 (0.46) DPP8DPP9DPP4FAP
SCHEMBL15009296 0.68 EPHX2 (0.47) EPHX2
SCHEMBL2849630 0.63 PREP (0.52) DPP8DPP9GLMNDPP4FAP
SCHEMBL2848405 0.63 DPP8 (0.47) DPP8DPP9GLMNDPP4FAP
SCHEMBL2851493 0.63 PREP (0.49) DPP8DPP9DPP4FAP
Hydrochloric Acid SCHEMBL2841474 0.62 PREP (0.49) DPP8DPP9DPP4FAP
SCHEMBL2843589 0.61 DPP4 (0.56) DPP8DPP9DPP4FAP
SCHEMBL2844697 0.61 PREP (0.46) DPP8DPP9GLMNDPP4FAP
SCHEMBL301874 0.61 FAP (0.47) DPP8DPP9DPP4FAP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US claimed

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-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 DPP8 5/4885DPP9 3/4885GLMN 517/4885

“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.