SCHEMBL1109891

SCHEMBL1109891

C[N+](C)(CCOCc1ccccc1)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.37
CHRM1 P11229 14/20 0.37
KCNH2 Q12809 4/20 0.37
SLC6A3 Q01959 3/20 0.37
LMNA P02545 3/20 0.36
CYP2D6 P10635 2/20 0.35
CHRM3 P20309 13/20 0.35
CYP19A1 P11511 1/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM4 P08173 12/20 0.33
CHRM5 P08912 12/20 0.33
APAF1 O14727 2/20 0.33
USP2 O75604 2/20 0.33
ERBB2 P04626 2/20 0.33
TP53 P04637 2/20 0.33
FYN P06241 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL1109893 1.00 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL2877682 0.99 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL2877676 0.99 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4783528 0.99 LMNA (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4739912 0.97 LMNA (0.35) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109818 0.95 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109819 0.95 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL13329593 0.95 HRH1 (0.38) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4742969 0.95 HRH1 (0.38) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL13329581 0.95 HRH1 (0.38) 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 18 patents. 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
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
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 CN claimed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN disclosed
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 disclosed
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 disclosed
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 disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US 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
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885KCNH2 784/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM2 12/4885CHRM1 24/4885KCNH2 1470/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM2 1/4885CHRM1 2/4885KCNH2 425/4885
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.