SCHEMBL610130

SCHEMBL610130

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
SRC P12931 8/20 0.41
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL261611 1.00 NR1H2 (0.55) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL30700528 1.00 NR1H2 (0.55) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL16584744 1.00 NR1H2 (0.55) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL19390033 1.00 NR1H2 (0.55) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL13336742 1.00 NR1H2 (0.55) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL29007981 0.90 NR1H2 (0.51) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL29035448 0.90 NR1H2 (0.51) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL10145418 0.88 NR1H2 (0.49) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL608492 0.88 NR1H2 (0.49) NR1H2SRCCHRM2CHRM1CHRM3
SCHEMBL610842 0.88 NR1H2 (0.49) NR1H2SRCCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US disclosed
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT NR1H2 2482/4885SRC 972/4885CHRM2 4748/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B NR1H2 1197/4885SRC 1902/4885CHRM2 149/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R NR1H2 66/4885SRC 4161/4885CHRM2 396/4885

“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.