SCHEMBL3390101

SCHEMBL3390101

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SRC P12931 7/20 0.34
HSD11B1 P28845 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL263738 1.00 NR1H2 (0.47) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL16584744 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL30700528 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL19390033 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL261611 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL13336742 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL610130 0.86 NR1H2 (0.55) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL10145418 0.84 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL610842 0.84 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL608492 0.84 NR1H2 (0.49) NR1H2CHRM2CHRM1CHRM3CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B NR1H2 1197/4885CHRM2 149/4885CHRM1 111/4885

“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.