SCHEMBL215713

SCHEMBL215713

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.57
HRH3 Q9Y5N1 1/20 0.51
CHEK2 O96017 1/20 0.51
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ALK Q9UM73 1/20 0.47

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
Hydrochloric Acid SCHEMBL9013879 0.99 GPR119 (0.56) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL215797 0.90 GPR119 (0.59) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL848331 0.88 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL21570073 0.88 GPR119 (0.57) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL214858 0.88 USP30 (0.45) GPR119HRH3CHEK2ALDH1A1PDE4B
SCHEMBL214556 0.87 GPR119 (0.56) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL16514077 0.87 GPR119 (0.67) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL21633285 0.86 GPR119 (0.55) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL1446380 0.86 GPR119 (0.55) GPR119HRH3CHEK2KDM1AALDH1A1
SCHEMBL1291501 0.86 GPR119 (0.57) GPR119HRH3CHEK2KDM1AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP 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 (3 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 GPR119 2016/4885HRH3 1553/4885CHEK2 412/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 GPR119 3838/4885HRH3 154/4885CHEK2 1993/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 GPR119 3852/4885HRH3 159/4885CHEK2 2018/4885

“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.