SCHEMBL9936121

SCHEMBL9936121

CC(C)(C)OC(=O)N1CCC(C2Cc3cc(Br)ccc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
FPR2 P25090 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FPR3 P25089 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL9936136 0.87 GPR119 (0.56) GPR119
SCHEMBL4536182 0.84 GPR119 (0.45) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL14749299 0.84 GPR119 (0.57) GPR119PTPN2PTPN1PTPN6
SCHEMBL17545463 0.83 GPR119 (0.46) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL9935783 0.83 GPR119 (0.48) GPR119
SCHEMBL9936687 0.82 GPR119 (0.41) GPR119
SCHEMBL15007481 0.81 GPR119 (0.58) GPR119PTPN2PTPN1PTPN6
SCHEMBL9936940 0.81 USP30 (0.49) GPR119PTPN2PTPN1PTPN6NPC1
SCHEMBL9974166 0.80 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6NPC1
SCHEMBL14749303 0.79 GPR119 (0.41) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665719-B1 FUSED DIHYDROFURANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISORDERS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2665719-B1 FUSED DIHYDROFURANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISORDERS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
EP-2651931-B1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2015-08-19 EP disclosed
US-8778926-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8729084-B2 Benzofuranyl analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-20 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
EP-2665719-A1 FUSED DIHYDROFURANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-11-27 EP disclosed
EP-2651931-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
US-20130059858-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 US disclosed
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-17 US disclosed
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-17 US disclosed
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-17 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
WO-2012080476-A1 FUSED DIHYDROPYRANS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY AND RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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 (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-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 GPR119 1/4885PTPN2 2253/4885PTPN1 2313/4885
US-20130018030-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 GPR119 1/4885PTPN2 1961/4885PTPN1 1885/4885
US-20130059858-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS GPR119, GPR180, GPR139 GPR119 1/4885PTPN2 2283/4885PTPN1 2303/4885

“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.