SCHEMBL3312449

SCHEMBL3312449

C[N+]1(CCOc2ccccc2)CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.62
CHRM2 P08172 16/20 0.62
CHRM1 P11229 16/20 0.62
CHRM4 P08173 2/20 0.62
CHRM5 P08912 2/20 0.62
ADRA2A P08913 2/20 0.62
ADRA2C P18825 2/20 0.62
TACR1 P25103 2/20 0.62
ADRA1A P35348 2/20 0.62
HRH1 P35367 2/20 0.62
OPRK1 P41145 2/20 0.62
KCNH2 Q12809 2/20 0.62

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
Bromide SCHEMBL1875236 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL1875238 0.99 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5540087 0.93 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5540113 0.93 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5536849 0.93 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5533379 0.89 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5532990 0.89 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL5544787 0.89 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL1875866 0.88 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL1875867 0.88 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5

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-20100112061-A1 Monophosphates as Mutual Prodrugs of Muscarinic Receptor Antagonists and Beta-Agonists for the Treatment of COPD And Chronic Bronchitis GILEAD SCIENCES, INC. 2010-05-06 US disclosed
EP-2114972-A2 MONOPHOSPHATES AS MUTUAL PRODRUGS OF MUSCARINIC RECEPTOR ANTAGONISTS AND BETA-AGONISTS FOR THE TREATMENT OF COPD AND CHRONIC BRONCHITIS Gilead Sciences, Inc. (US) 2009-11-11 EP disclosed
WO-2009060203-A1 3,4,6,7-TETRAHYDRO-1 H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed
WO-2008076269-A2 MONOPHOSPHATES AS MUTUAL PRODRUGS OF MUSCARINIC RECEPTOR ANTAGONISTS AND β-AGONISTS FOR THE TREATMENT OF COPD AND CHRONIC BRONCHITIS GILEAD SCIENCES, INC. (US) 2008-06-26 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 (1 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-20100112061-A1 Monophosphates as Mutual Prodrugs of Muscarinic Receptor Antagonists and Beta-Agonists for the Treatment of COPD And Chronic Bronchitis ADRB1, ADRB2, CHRM3 CHRM3 3/4885CHRM2 5/4885CHRM1 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.