SCHEMBL25530472

SCHEMBL25530472

CC(C)NC(=O)C(N)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.36
DPP8 Q6V1X1 5/20 0.36
DPP9 Q86TI2 5/20 0.36
ROCK2 O75116 2/20 0.35
CIT O14578 2/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP7 Q9UHL4 3/20 0.33
AAK1 Q2M2I8 2/20 0.32
HIPK4 Q8NE63 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
SLC15A1 P46059 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL24832183 0.81 SCN9A (0.41) DPP4DPP8DPP9ROCK2AAK1
SCHEMBL14404899 0.79 DPP4 (0.33) DPP4DPP8DPP9ROCK2CIT
SCHEMBL5191383 0.79 GRN (0.46) DPP4DPP8DPP9ROCK2NFKB1
SCHEMBL14167270 0.78 DPP4 (0.41) DPP4ROCK2CITAAK1HIPK4
SCHEMBL12883235 0.78 DPP4 (0.41) DPP4ROCK2CITAAK1HIPK4
Hydrochloric Acid SCHEMBL2367750 0.77 GRN (0.45) DPP4DPP8DPP9ROCK2NFKB1
SCHEMBL4089245 0.77 CTSC (0.33) DPP4ROCK2CITCYP3A4AAK1
SCHEMBL24996110 0.76 CYP2D6 (0.43) DPP4ROCK2CITLMNADPP7
SCHEMBL24221417 0.76 DPP9 (0.49) DPP4DPP8DPP9TSHRLMNA
SCHEMBL23866587 0.76 DPP4 (0.39) DPP4DPP8DPP9TSHRDPP7

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
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 DPP4 130/4885DPP8 494/4885DPP9 169/4885

“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.