SCHEMBL25851305

SCHEMBL25851305

CC1CN(C(C)C)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL104800 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL10130709 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL1911485 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL10130710 1.00 PDK1 (0.38) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL20329193 0.84 KDM4E (0.30) ALDH1A1KDM4EGAACYP2C9HPGD
SCHEMBL19012719 0.84 ALDH1A1 (0.34) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL25081335 0.84 KDM4E (0.33) PDK1ALDH1A1KDM4EGAACYP2C9
SCHEMBL18431554 0.82 PDK1 (0.31) PDK1
SCHEMBL25134333 0.82 PDK1 (0.31) PDK1
SCHEMBL24044808 0.79 KDM4E (0.36) PDK1ALDH1A1KDM4EGAACYP2C9

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PDK1 89/4885ALDH1A1 4541/4885KDM4E 4095/4885

“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.