SCHEMBL4076010

SCHEMBL4076010

CCc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA4 P43681 2/20 0.51
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
SYK P43405 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
CCR2 P41597 1/20 0.42
MAPK8 P45983 1/20 0.41
LCK P06239 2/20 0.41
SCN9A Q15858 2/20 0.40
NR3C2 P08235 1/20 0.40
ATR Q13535 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL465792 0.88 CCR2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR2
SCHEMBL30396325 0.88 CCR2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR2
SCHEMBL8307596 0.87 CCR2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CCR2
SCHEMBL2827164 0.87 GLS (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR2
SCHEMBL21198393 0.87 CCR2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPKAPK2
SCHEMBL29988292 0.87 GLS (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR2
SCHEMBL6681771 0.87 CCR2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SYK
SCHEMBL1022260 0.87 GLS (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR2
SCHEMBL29394473 0.86 LCK (0.47) LCK
SCHEMBL20098837 0.86 CDK5 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020133123-A1 OXIME-TETRAZOLE DERIVATIVE AND APPLICATION THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2020-07-02 WO disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 US disclosed
US-9371278-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-06-21 US disclosed
US-9328067-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-03 US disclosed
US-20160083342-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-03-24 US disclosed
US-20160083342-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-03-24 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20140378492-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2014-12-25 US disclosed
US-8877804-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-11-04 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 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 (9 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-20160083342-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CHRNB2 2027/4885CHRNB4 1870/4885CHRNA3 2273/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 CHRNB2 4880/4885CHRNB4 4876/4885CHRNA3 4869/4885
US-20140378492-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CHRNB2 2027/4885CHRNB4 1870/4885CHRNA3 2273/4885
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CHRNB2 2027/4885CHRNB4 1870/4885CHRNA3 2273/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CHRNB2 2027/4885CHRNB4 1870/4885CHRNA3 2273/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNB4 4876/4885CHRNA3 4873/4885
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CHRNB2 45/4885CHRNB4 59/4885CHRNA3 17/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNB4 4876/4885CHRNA3 4873/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNB4 4876/4885CHRNA3 4873/4885

“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.