SCHEMBL24909668

SCHEMBL24909668

CC(C)(C)OC(=O)N1CC2CC2C[C@@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
ALDH1A1 P00352 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PREP P48147 1/20 0.32
SRC P12931 8/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL16589445 1.00 NR1H2 (0.42) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL393307 0.89 ALDH1A1 (0.38) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1861179 0.89 ALDH1A1 (0.38) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1861180 0.89 ALDH1A1 (0.38) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1446403 0.87 CYP1A2 (0.40) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL14145046 0.87 CYP1A2 (0.40) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL13598441 0.87 CYP1A2 (0.40) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL25930806 0.87 NR1H2 (0.36) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL4274093 0.87 CYP1A2 (0.40) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1446404 0.87 CYP1A2 (0.40) NR1H2ALDH1A1CHRM2CHRM1CHRM3

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-20230012570-A1 BICYCLIC COMPOUND USED AS SELECTIVE ANDROGEN RECEPTOR MODULATOR MEDSHINE DISCOVERY INC. (CN) 2023-01-19 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-20230012570-A1 BICYCLIC COMPOUND USED AS SELECTIVE ANDROGEN RECEPTOR MODULATOR AR, NR5A1, CYP17A1 NR1H2 36/4885ALDH1A1 936/4885CHRM2 2055/4885

“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.