SCHEMBL524177

SCHEMBL524177

C[N+](C)(CCOCCc1ccccc1)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.36
CHRM1 P11229 11/20 0.36
KCNH2 Q12809 4/20 0.36
SLC6A3 Q01959 3/20 0.36
LMNA P02545 4/20 0.36
CHRM3 P20309 10/20 0.35
CHRM4 P08173 9/20 0.35
CHRM5 P08912 9/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2D6 P10635 3/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
APAF1 O14727 3/20 0.35
USP2 O75604 3/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
RAD52 P43351 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL4743216 1.00 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL524178 1.00 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4743343 1.00 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL1109913 0.99 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL1109911 0.99 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4742397 0.99 LMNA (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4740592 0.97 HRH1 (0.35) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4743394 0.95 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4743400 0.95 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4742443 0.94 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA

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 36 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-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO claimed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST 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
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US 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
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-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST 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
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-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST 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-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM2 12/4885CHRM1 24/4885KCNH2 1470/4885
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.