SCHEMBL25530830

SCHEMBL25530830

CC1CN(C(=O)C(C)(N)N)CCN1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL25530831 1.00 PDK1 (0.32) PDK1PDK2PDK3PDK4LMNA
SCHEMBL25530826 1.00 PDK1 (0.32) PDK1PDK2PDK3PDK4LMNA
SCHEMBL25530308 0.90 DPP4 (0.35) PDK1PDK2PDK3PDK4LMNA
SCHEMBL25530311 0.90 DPP4 (0.35) PDK1PDK2PDK3PDK4LMNA
SCHEMBL25530310 0.90 DPP4 (0.35) PDK1PDK2PDK3PDK4LMNA
SCHEMBL23134618 0.86 MEN1 (0.35) PDK1PDK2PDK3PDK4LMNA
SCHEMBL23133917 0.86 MEN1 (0.35) PDK1PDK2PDK3PDK4LMNA
SCHEMBL23134675 0.86 MEN1 (0.35) PDK1PDK2PDK3PDK4LMNA
SCHEMBL17589222 0.80 CYP1A2 (0.39)
SCHEMBL15448175 0.80 CYP1A2 (0.39)

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-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 PDK1 3967/4885PDK2 4289/4885PDK3 3466/4885

“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.