SCHEMBL14870488

SCHEMBL14870488

C[C@@H]1[C@@H]2[C@H](CN1C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL25755235 1.00 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4308762 0.84 CHRM2 (0.38) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4301629 0.84 CHRM2 (0.38) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL16349058 0.81 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4311042 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4308133 0.81 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL13689098 0.81 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4304713 0.81 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL14451045 0.81 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL8353738 0.81 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10

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-20130096277-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 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-20130096277-A1 PROCESSES AND INTERMEDIATES CYP1B1, CYP3A7, CYP7A1 NR1H2 449/4885CHRM2 3019/4885CHRM1 1696/4885

“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.