SCHEMBL71244

SCHEMBL71244

CC1COCC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RECQL P46063 1/20 0.41
▸ PREP P48147 4/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ EPHX1 P07099 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
SCHEMBL1885718 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL71243 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL16908277 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL15508352 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL15508459 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL31137064 0.87 CHRM2 (0.41) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1006280 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1005463 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL1005464 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL17717511 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900665-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 — — EP disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 — — EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 — — US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 — — US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 — — US disclosed
US-7947833-B2 methods that are useful in the preparation of amidophenyl-sulfonylamino-quinoxaline compounds CCK2 modulators are disclosed by sulfonylation JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 — — US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 — — US disclosed
US-7563895-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-21 — — US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 — — EP disclosed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 — — EP disclosed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 — — US disclosed
US-7288651-B2 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 — — US disclosed
EP-1651622-B1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 — — EP disclosed
CN-1863782-A 2-(quinoxalin-5-ylsulfonylamino)-benzamide compounds as cck2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 — — CN disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 — — EP disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 — — EP disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — WO disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — WO disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 — — US disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 — — US 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 CHRM2 1896/4885CHRM1 1078/4885CHRM3 1886/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 CHRM2 2230/4885CHRM1 1293/4885CHRM3 2168/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR CHRM2 1192/4885CHRM1 1440/4885CHRM3 977/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR CHRM2 2459/4885CHRM1 3225/4885CHRM3 2630/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 CHRM2 2033/4885CHRM1 1300/4885CHRM3 2253/4885

“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.

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