SCHEMBL1246854

SCHEMBL1246854

CC(C)(C)OC(=O)N1CCOC2(CN(CCc3cccc(CCO)c3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
P2RX3 P56373 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
USP30 Q70CQ3 1/20 0.36
SCD5 Q86SK9 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
CHRM2 P08172 3/20 0.35
CHRM3 P20309 3/20 0.35
EIF2AK4 Q9P2K8 1/20 0.34
NAMPT P43490 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
STS P08842 1/20 0.34
RORC P51449 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
SCHEMBL1247130 0.84 CHRM2 (0.39) MGLLSIGMAR1CHRM2CHRM3
SCHEMBL13115666 0.76 MGLL (0.57) MGLLCHRM2CHRM3
SCHEMBL25713743 0.75 USP2 (0.49) MGLLSMN1; SMN2USP2SCD5CHRM2
SCHEMBL4710410 0.74 GLS (0.52) MGLLSMN1; SMN2CHRM2CHRM3CHRM4
SCHEMBL29910448 0.74 GLS (0.52) MGLLSMN1; SMN2CHRM2CHRM3CHRM4
SCHEMBL31454666 0.74 USP2 (0.43) MGLLSMN1; SMN2USP2CHRM2EIF2AK4
SCHEMBL17608925 0.74 CHRM2 (0.60) MGLLSIGMAR1CHRM2CHRM3
SCHEMBL2142922 0.74 GLS (0.41) SIGMAR1USP30GPR119CHRM2CHRM3
SCHEMBL1246835 0.74 CHRM2 (0.64) CHRM2CHRM3
SCHEMBL19320653 0.73 USP2 (0.53) MGLLSMN1; SMN2USP2SCD5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 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 (2 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 MGLL 3778/4885P2RX3 416/4885SIGMAR1 132/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 MGLL 3778/4885P2RX3 416/4885SIGMAR1 132/4885

“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.