SCHEMBL30242510

SCHEMBL30242510

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.43
NR1H2 P55055 1/20 0.43
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.39
RORC P51449 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1486976 1.00 PREP (0.43) PREPNR1H2USP2SMN1; SMN2GPR119
SCHEMBL30242473 1.00 PREP (0.43) PREPNR1H2USP2SMN1; SMN2GPR119
SCHEMBL20647830 0.86 NR1H2 (0.51) NR1H2USP2SMN1; SMN2GPR119CHRM2
SCHEMBL16903487 0.86 NR1H2 (0.51) NR1H2USP2SMN1; SMN2GPR119CHRM2
SCHEMBL20647832 0.86 NR1H2 (0.51) NR1H2USP2SMN1; SMN2GPR119CHRM2
SCHEMBL16903485 0.86 NR1H2 (0.51) NR1H2USP2SMN1; SMN2GPR119CHRM2
SCHEMBL19459143 0.84 PREP (0.33) PREP
SCHEMBL30548090 0.84 USP2 (0.42) NR1H2USP2SMN1; SMN2GPR119HPGD
SCHEMBL8182192 0.84 PREP (0.42) PREPNR1H2USP2SMN1; SMN2GPR119
SCHEMBL22072991 0.83 PREP (0.43) PREPNR1H2USP2SMN1; SMN2GPR119

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.