SCHEMBL1109792

SCHEMBL1109792

Cc1ccc(OCCC[N+](C)(C)Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
CYP19A1 P11511 1/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 2/20 0.37
CHRNA7 P36544 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH1 P35367 4/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
NPY2R P49146 1/20 0.34

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
SCHEMBL1109795 1.00 KCNH2 (0.39) KCNH2CYP19A1MEN1KMT2ACHRNA7
Bromide SCHEMBL2876849 0.99 KCNH2 (0.38) KCNH2CYP19A1MEN1KMT2ACHRNA7
Bromide SCHEMBL2876843 0.99 KCNH2 (0.38) KCNH2CYP19A1MEN1KMT2ACHRNA7
SCHEMBL4743355 0.95 CHRNA7 (0.38) KCNH2CYP19A1MEN1KMT2ACHRNA7
SCHEMBL4743356 0.95 CHRNA7 (0.38) KCNH2CYP19A1MEN1KMT2ACHRNA7
SCHEMBL4744082 0.95 KCNH2 (0.38) KCNH2CYP19A1MEN1KMT2ACHRNA7
SCHEMBL4743389 0.94 KCNH2 (0.39) KCNH2CYP19A1MEN1CHRNA7CHRM2
SCHEMBL523702 0.94 KCNH2 (0.39) KCNH2CYP19A1MEN1CHRNA7CHRM2
SCHEMBL524278 0.94 KCNH2 (0.39) KCNH2CYP19A1MEN1CHRNA7CHRM2
SCHEMBL4743353 0.94 KCNH2 (0.39) KCNH2CYP19A1MEN1CHRNA7CHRM2

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 15 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
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
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-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
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
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 KCNH2 784/4885CYP19A1 858/4885MEN1 2705/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 KCNH2 1470/4885CYP19A1 1716/4885MEN1 2442/4885
US-20130005695-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 KCNH2 425/4885CYP19A1 451/4885MEN1 2654/4885
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 1475/4885CYP19A1 2825/4885MEN1 4370/4885

“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.