SCHEMBL23866566

SCHEMBL23866566

CC(C)NC(=O)CC1CCN(C(=O)[C@@H](N)[C@@H](C)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
DPP7 Q9UHL4 3/20 0.42
PREP P48147 1/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 2/20 0.39
EPHX2 P34913 2/20 0.37
PDK2 Q15119 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
ARG1 P05089 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21661005 1.00 DPP4 (0.42) DPP4DPP7PREPITGB3ITGA2B
SCHEMBL23866561 0.87 DPP4 (0.40) DPP4DPP7PREPITGB3ITGA2B
SCHEMBL22519412 0.78 KMT2A (0.59) DPP4DPP7PREPMEN1KMT2A
SCHEMBL23866612 0.78 KMT2A (0.59) DPP4DPP7PREPMEN1KMT2A
SCHEMBL25870422 0.77 EPHX2 (0.48) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL15247208 0.76 DPP4 (0.51) DPP4DPP7PREPDPP8DPP9
SCHEMBL15474126 0.76 DPP4 (0.51) DPP4DPP7PREPDPP8DPP9
SCHEMBL8375991 0.76 KEAP1 (0.44) KMT2A
SCHEMBL25870573 0.75 PTPN1 (0.45) ITGB3ITGA2BEPHX2MEN1KMT2A
SCHEMBL10199651 0.75 KMT2A (0.45) EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1190/4885DPP7 461/4885PREP 3456/4885

“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.