SCHEMBL609152

SCHEMBL609152

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
PREP P48147 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.33
HPGD P15428 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
SCHEMBL607607 1.00 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3F13A1
SCHEMBL10145613 1.00 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3F13A1
SCHEMBL30700601 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL609610 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL609346 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL24909283 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL16584672 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL20713877 0.83 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3F13A1
SCHEMBL19865492 0.83 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3F13A1
SCHEMBL21154007 0.82 CHRM2 (0.40) NR1H2CHRM2CHRM1CHRM3F13A1

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 2 patents. 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
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 NR1H2 66/4885CHRM2 396/4885CHRM1 299/4885

“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.