SCHEMBL6521586

SCHEMBL6521586

CCCCN(CCNCCc1ccc(OC(=O)C(F)(F)F)c2c1OCC(=O)N2)C(=O)CCOCCc1ccccc1OCCN1CCC2(CC1)CN(C(=O)c1csc(C(C)C)n1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.41
CHRM3 P20309 6/20 0.41
ADRB2 P07550 2/20 0.33
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL6521595 0.93 CHRM3 (0.41) CHRM2CHRM3ADRB2DRD2DRD1
SCHEMBL12789312 0.92 CHRM3 (0.43) CHRM2CHRM3ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6522142 0.85 CHRM3 (0.41) CHRM2CHRM3ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6523373 0.84 CHRM2 (0.42) CHRM2CHRM3ADRB2DRD2DRD1
SCHEMBL12846730 0.84 CHRM3 (0.44) CHRM2CHRM3ADRB2DRD2DRD1
SCHEMBL1245050 0.83 CHRM2 (0.44) CHRM2CHRM3ADRB2DRD2DRD1
SCHEMBL6523329 0.83 CHRM3 (0.41) CHRM2CHRM3ADRB2
Sulfuric Acid SCHEMBL1246196 0.82 CHRM2 (0.44) CHRM2CHRM3ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6527403 0.82 CHRM3 (0.44) CHRM2CHRM3ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6523286 0.81 CHRM3 (0.46) CHRM2CHRM3ADRB2

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-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-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

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 CHRM2 157/4885CHRM3 97/4885ADRB2 2/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885ADRB2 2/4885

“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.