SCHEMBL20163985

SCHEMBL20163985

NC1(C(=O)N2CCC(F)(F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.33
EPHX2 P34913 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
VNN1 O95497 1/20 0.30
AOC2 O75106 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL20163793 0.89 DPP7 (0.34) DPP7DPP4DPP9HDAC1HDAC2
SCHEMBL21880359 0.80 DPP9 (0.36) DPP7DPP4DPP9
SCHEMBL4132242 0.80 DPP4 (0.38) DPP7DPP4DPP9
SCHEMBL5027628 0.79 HSD11B1 (0.39) DPP7DPP9
SCHEMBL5031120 0.79 HSD11B1 (0.43) DPP7DPP9
SCHEMBL5031162 0.77 HSD11B1 (0.45)
SCHEMBL15076636 0.76 DPP9 (0.36) DPP7DPP4DPP9EPHX2
SCHEMBL21187742 0.75 DPP4 (0.40) DPP7DPP4HDAC1HDAC2HDAC3
SCHEMBL5031123 0.74 GAA (0.50) DPP7DPP9
SCHEMBL15076715 0.74 DPP9 (0.50) DPP7DPP4DPP9EPHX2

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-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (2 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-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA DPP7 1804/4885DPP4 2117/4885DPP9 1049/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA DPP7 1804/4885DPP4 2117/4885DPP9 1049/4885

“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.