SCHEMBL1848705

SCHEMBL1848705

ON=C[C@](O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CHRM3 P20309 6/20 0.42
CHRM2 P08172 5/20 0.42
CHRM1 P11229 5/20 0.42
CYP2D6 P10635 5/20 0.42
KCNH2 Q12809 4/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
HRH1 P35367 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL1848704 1.00 KEAP1 (0.47) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1848708 1.00 KEAP1 (0.47) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL28062010 0.79 KEAP1 (0.54) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL22257216 0.77 KEAP1 (0.56) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4889331 0.77 KEAP1 (0.51) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL17443216 0.73 KEAP1 (0.47) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL17443217 0.73 KEAP1 (0.47) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL28257085 0.72 CYP2D6 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2238914 0.72 CYP2D6 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1844222 0.72 KEAP1 (0.37) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2011-08-25 US disclosed
EP-2323655-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2323653-A1 2-HYDROXY-ETHANESULFONATE SALT AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010019097-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
WO-2010018352-A1 HETEROCYCLIC COMPOUNDS USED IN THE TREATMENT OF DISEASES WHERE ENHANCED M3 RECEPTOR ACTIVATION IS IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2010-02-18 WO disclosed
WO-2010019099-A1 2-HYDROXY-ETHANESULFONATE SALT ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
WO-2010019098-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-02-18 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-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A KEAP1 1640/4885NFE2L2 1927/4885CHRM3 13/4885
US-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT CHRM3, CHRM2, CHRM5 KEAP1 987/4885NFE2L2 1723/4885CHRM3 1/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 KEAP1 3123/4885NFE2L2 4519/4885CHRM3 4/4885

“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.