SCHEMBL5644483

SCHEMBL5644483

O=C(O)N1CCc2c(C(F)(F)F)n[nH]c2C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
P2RX7 Q99572 9/20 0.43
RBP4 P02753 9/20 0.41

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
SCHEMBL1006514 0.88 DPP4 (0.50) DPP4DPP8DPP9DPP7RBP4
SCHEMBL14970433 0.87 RBP4 (0.53) DPP4DPP8DPP9DPP7RBP4
SCHEMBL23881432 0.86 DPP4 (0.40) DPP4DPP8DPP9DPP7P2RX7
SCHEMBL19124072 0.83 DPP4 (0.54) DPP4DPP8DPP9DPP7P2RX7
SCHEMBL1424003 0.81 DPP4 (0.46) DPP4DPP8DPP9DPP7P2RX7
SCHEMBL17317780 0.78 DPP4 (0.47) DPP4DPP8DPP9DPP7P2RX7
SCHEMBL5645375 0.77 DPP4 (0.52) DPP4DPP8DPP9DPP7
SCHEMBL28646727 0.77 P2RX7 (0.39) DPP4DPP8DPP9DPP7P2RX7
SCHEMBL28644919 0.77 CREBBP (0.41) P2RX7RBP4
SCHEMBL17317850 0.77 P2RX7 (0.39) P2RX7RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.