SCHEMBL6519925

SCHEMBL6519925

COC(CN(C(=O)CCOCCc1cccc(CN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)n2)CCO3)c1F)C1CCCCCC1)OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.55
CHRM2 P08172 15/20 0.55
GAA P10253 1/20 0.33
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL6519165 0.93 CHRM2 (0.57) CHRM3CHRM2GAAGFERKMT2A
SCHEMBL6518838 0.88 CHRM3 (0.56) CHRM3CHRM2ADRB2
SCHEMBL6525799 0.87 CHRM2 (0.53) CHRM3CHRM2GAAGFERKMT2A
SCHEMBL6523655 0.87 CHRM3 (0.59) CHRM3CHRM2GAAADRB2
SCHEMBL1244891 0.85 CHRM3 (0.60) CHRM3CHRM2GAAGFERKMT2A
SCHEMBL1246163 0.85 CHRM3 (0.67) CHRM3CHRM2ADRB2
SCHEMBL1246070 0.85 CHRM2 (0.52) CHRM3CHRM2
SCHEMBL12914581 0.84 CHRM2 (0.35) CHRM3CHRM2
SCHEMBL6518214 0.84 CHRM2 (0.47) CHRM3CHRM2GAAGFERKMT2A
SCHEMBL12846795 0.83 SMYD2 (0.47) CHRM3CHRM2ADRB2

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 12 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-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
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
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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 (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 CHRM3 97/4885CHRM2 157/4885GAA 2401/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM3 97/4885CHRM2 157/4885GAA 2401/4885

“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.