SCHEMBL25533933

SCHEMBL25533933

C[C@@H](N)C(=O)N[C@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.37
CYP2C19 P33261 1/20 0.36
CHRM1 P11229 3/20 0.35
PKM P14618 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL13337051 0.86 DPP4 (0.41) DPP4
SCHEMBL25530419 0.85 HRH3 (0.40) DPP4CHRM1PKM
SCHEMBL13337035 0.83 DPP4 (0.39) DPP4
SCHEMBL13337040 0.83 DPP4 (0.39) DPP4
SCHEMBL25533940 0.82 DPP4 (0.36) DPP4PKM
SCHEMBL13645813 0.80 CYP1A2 (0.48) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL22979670 0.80 HSD17B10 (0.45) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL22979668 0.80 HSD17B10 (0.45) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL14365561 0.79 CYP1A2 (0.50) CYP1A2TDP1HSD17B10KDM4EALDH1A1
SCHEMBL2364758 0.79 CYP1A2 (0.50) CYP1A2TDP1HSD17B10KDM4EALDH1A1

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 CYP1A2 3539/4885TDP1 4219/4885DPP4 130/4885

“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.