SCHEMBL2522639

SCHEMBL2522639

C=CCOC(=O)c1ccc(Cl)c(OCC=C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
SNCA P37840 1/20 0.46
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4B Q07343 1/20 0.39
HSD17B2 P37059 1/20 0.39
LIG1 P18858 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL1340388 0.90 HSD17B2 (0.52) KDM4ETSHRGAACYP3A4KMT2A
SCHEMBL2523828 0.87 KDM4E (0.49) KDM4ETSHRGAASNCACYP3A4
SCHEMBL13690626 0.86 KDM4E (0.57) KDM4ETSHRGAASNCACYP3A4
SCHEMBL8786876 0.82 TSHR (0.50) KDM4ETSHRGAASNCACYP3A4
SCHEMBL2524549 0.82 KDM4E (0.47) KDM4ETSHRGAASNCACYP3A4
SCHEMBL19511252 0.82 KDM4E (0.47) KDM4ETSHRGAASNCACYP3A4
SCHEMBL680755 0.81 KDM4E (0.71) KDM4ETSHRCYP3A4KMT2AMEN1
SCHEMBL31737297 0.81 KDM4E (0.71) KDM4ETSHRCYP3A4KMT2AMEN1
SCHEMBL5102380 0.81 KDM4E (0.54) KDM4ETSHRSNCACYP3A4KMT2A
SCHEMBL13690602 0.81 KDM4E (0.48) KDM4ETSHRGAASNCACYP3A4

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-8486992-B2 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED (GB) 2013-07-16 US disclosed
US-8268881-B2 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED (GB) 2012-09-18 US disclosed
CN-101268046-B Carboxamide derivatives as muscarinic receptor antagonists PFIZER 2012-07-25 CN disclosed
US-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists GLOSSOP PAUL ALAN 2011-10-13 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-7772223-B2 5-Methyl-5-(3-phenoxyazetidin-1-yl)-2,2-diphenylhexanamide, used for the treatment of respiratory system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis and emphysema PFIZER INC. (US) 2010-08-10 US disclosed
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists GLOSSOP PAUL ALAN 2010-02-04 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1928821-B1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 2009-01-07 EP disclosed
CN-101268046-A Carboxamide derivatives as muscarinic receptor antagonists PFIZER LTD (GB) 2008-09-17 CN disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
EP-1928821-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-06-11 EP disclosed
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED 2007-05-10 US disclosed
WO-2007034325-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2007-03-29 WO disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (5 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KDM4E 1843/4885TSHR 3211/4885GAA 92/4885
US-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 KDM4E 2040/4885TSHR 104/4885GAA 3248/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KDM4E 1843/4885TSHR 3211/4885GAA 92/4885
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 KDM4E 2040/4885TSHR 104/4885GAA 3248/4885
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 KDM4E 2040/4885TSHR 104/4885GAA 3248/4885

“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.