SCHEMBL13744758

SCHEMBL13744758

CN(C(=O)C(C)(C)C)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
BRD4 O60885 1/20 0.32
MGLL Q99685 1/20 0.32
RAB9A P51151 1/20 0.31
EPHX1 P07099 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL23558763 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7BRD4
SCHEMBL14707761 0.91 DPP4 (0.44) DPP4DPP8DPP9DPP7MGLL
SCHEMBL18907728 0.85 DPP4 (0.40) DPP4DPP8DPP9DPP7MGLL
SCHEMBL21666389 0.83 RAB9A (0.42) DPP4DPP8DPP9DPP7MGLL
SCHEMBL15706261 0.82 DPP4 (0.40) DPP4DPP8DPP9DPP7MGLL
SCHEMBL15925835 0.82 MCHR1 (0.34) DPP4DPP8DPP9DPP7BRD4
SCHEMBL13036324 0.81 FAAH (0.45) DPP4DPP8DPP9DPP7MGLL
SCHEMBL12783303 0.81 FAAH (0.45) DPP4DPP8DPP9DPP7MGLL
SCHEMBL17971370 0.78 SLC6A4 (0.38) DPP4DPP8DPP9DPP7MGLL
SCHEMBL13223506 0.78 PIK3CD (0.40) DPP4DPP8DPP9DPP7MGLL

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-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 DPP4 2709/4885DPP8 3132/4885DPP9 3049/4885

“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.