SCHEMBL30242513

SCHEMBL30242513

CC(C)(C)OC(=O)N1CC=C[C@H](OC(=O)C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.39
NR1H2 P55055 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33

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
SCHEMBL30242481 1.00 PREP (0.39) PREPNR1H2USP2SMN1; SMN2NAMPT
SCHEMBL22032728 1.00 PREP (0.39) PREPNR1H2USP2SMN1; SMN2NAMPT
SCHEMBL18449799 0.87 PREP (0.40) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL22033750 0.84 PREP (0.39) PREPNR1H2USP2SMN1; SMN2NAMPT
SCHEMBL22032965 0.84
SCHEMBL22032693 0.84
SCHEMBL17049887 0.84 PREP (0.42) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL22032691 0.84
SCHEMBL18633742 0.80 PREP (0.39) PREPNR1H2USP2SMN1; SMN2HPGD
SCHEMBL24337573 0.78 USP2 (0.38) PREPNR1H2USP2SMN1; SMN2NAMPT

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-20220380309-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-12-01 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-20220380309-A1 CHOLINE METABOLISM INHIBITORS CHKB, CRAT, HNMT PREP 3864/4885NR1H2 360/4885USP2 1953/4885

“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.