SCHEMBL10144798

SCHEMBL10144798

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL20005982 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL26791171 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL12660832 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL1914221 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL116548 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL19557223 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL116141 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL1914633 0.88 NR1H2 (0.42) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL10145374 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL17980096 0.85 HSD17B10 (0.41) CHRM2CHRM1CHRM3HSD17B10HPGD

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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R CHRM2 396/4885CHRM1 299/4885CHRM3 311/4885

“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.