SCHEMBL523702

SCHEMBL523702

C[N+](C)(CCCOc1ccccc1)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
CHRM2 P08172 8/20 0.38
CHRM1 P11229 8/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 3/20 0.37
CHRM3 P20309 8/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL524278 1.00 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1
SCHEMBL523703 1.00 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1
SCHEMBL4743389 1.00 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1
SCHEMBL4743353 1.00 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1
Bromide SCHEMBL524879 0.99 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3CYP19A1
Bromide SCHEMBL524878 0.99 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3CYP19A1
Bromide SCHEMBL1109805 0.99 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3CYP19A1
SCHEMBL13329509 0.99 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1
SCHEMBL13329512 0.99 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1
SCHEMBL1109843 0.99 KCNH2 (0.39) KCNH2CHRM2CHRM1SLC6A3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2013-01-03 US claimed
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-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP 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
WO-2008096143-A1 NAPADISYLATE SALT OF A MUSCARINIC M3 ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO claimed
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP claimed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO claimed
US-20180339119-A1 INHALER BANG & OLUFSEN MEDICOM A/S (DK) 2018-11-29 US disclosed
EP-2755707-B1 INHALER ASTRAZENECA AB (SE) 2018-11-14 EP disclosed
EP-3345644-A1 INHALER Astrazeneca AB (SE) 2018-07-11 EP disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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 (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-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 KCNH2 425/4885CHRM2 1/4885CHRM1 2/4885
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 KCNH2 1475/4885CHRM2 34/4885CHRM1 44/4885

“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.