SCHEMBL523790

SCHEMBL523790

C[N+](C)(CCOCc1ccc(Cl)c(Cl)c1)Cc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.33
CHRM1 P11229 10/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM3 P20309 9/20 0.31
CHRM4 P08173 8/20 0.31
CHRM5 P08912 8/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 2/20 0.31
HRH1 P35367 1/20 0.31
ALOX5 P09917 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
SCHEMBL523789 1.00 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
Bromide SCHEMBL1179592 0.99 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
Bromide SCHEMBL1179587 0.99 CHRM2 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4743333 0.99 LMNA (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL1180205 0.95 TACR1 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL1109929 0.95 TACR1 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL1109925 0.95 LMNA (0.32) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4741997 0.93 CHRM1 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL4741995 0.93 CHRM1 (0.33) CHRM2CHRM1KCNH2LMNASLC6A3
SCHEMBL435135 0.91 CYP19A1 (0.37) CHRM2CHRM1KCNH2LMNASLC6A3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 US claimed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP claimed
WO-2010008341-A1 A COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A MUSCARINIC ANTAGONIST ASTRAZENECA AB (SE) 2010-01-21 WO claimed
EP-2124941-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST Argenta Discovery Limited (GB) 2009-12-02 EP claimed
EP-2125728-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-12-02 EP claimed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO claimed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO claimed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO claimed
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
EP-2624838-A1 NOVEL COMBINATIONS AstraZeneca AB (SE) 2013-08-14 EP disclosed
WO-2012046050-A1 NOVEL COMBINATIONS ASTRAZENECA AB (SE) 2012-04-12 WO disclosed
EP-2414376-A1 PHARMACEUTICAL COMPOSITION COMPRISING A STEROIDAL[3,2-C]PYRAZOLE DERIVATIVE AND A SECOND PHARMACEUTICALLY ACTIVE COMPOUND AstraZeneca AB (SE) 2012-02-08 EP disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
EP-2124941-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST Argenta Discovery Limited (GB) 2009-12-02 EP disclosed
EP-2125728-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 CHRM2 1106/4885CHRM1 1212/4885KCNH2 881/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 CHRM2 1149/4885CHRM1 1204/4885KCNH2 972/4885
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma CCR1, CCR5, CCR3 CHRM2 34/4885CHRM1 44/4885KCNH2 1475/4885

“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.