SCHEMBL25826133

SCHEMBL25826133

CSCN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
SIGMAR1 Q99720 3/20 0.45
EBP Q15125 1/20 0.45
KDM4E B2RXH2 4/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2A13 Q16696 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FKBP1A P62942 1/20 0.34
POLB P06746 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
SCHEMBL14067375 0.75 SIGMAR1 (0.48) PDK1SIGMAR1EBPKDM4EHTT
SCHEMBL24037260 0.74 PDK1 (0.50) PDK1
SCHEMBL3818437 0.72
SCHEMBL4550370 0.72 SIGMAR1 (0.56) PDK1SIGMAR1EBPKDM4EHTT
SCHEMBL11962148 0.72 SIGMAR1 (0.56) PDK1SIGMAR1EBPKDM4EHTT
SCHEMBL24177268 0.72 GLB1 (0.38)
SCHEMBL12125120 0.72 SIGMAR1 (0.56) PDK1SIGMAR1EBPKDM4EHTT
SCHEMBL12125047 0.72 SIGMAR1 (0.56) PDK1SIGMAR1EBPKDM4EHTT
SCHEMBL1564250 0.71 SIGMAR1 (0.55) PDK1SIGMAR1EBPKDM4EHTT
SCHEMBL296049 0.71 SIGMAR1 (0.55) PDK1SIGMAR1EBPKDM4EHTT

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PDK1 79/4885SIGMAR1 3212/4885EBP 258/4885

“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.