Sugi Predict

Sugi Predict / Compounds / SCHEMBL3249164

SCHEMBL3249164

SCHEMBL3249164

CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ KDM1A O60341 2/20 0.44
▸ TACR1 P25103 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30929772 0.92 CYP11B2 (0.45) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL15156278 0.86 RORC (0.45) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL30334973 0.86 RORC (0.45) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL6887962 0.86 GPR119 (0.49) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL3249913 0.85 OPRD1 (0.49) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL27201496 0.85 USP30 (0.42) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL29572732 0.85 TSHR (0.51) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL4357496 0.85 TSHR (0.51) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL653342 0.84 STS (0.47) GPR119PDK2HDAC1HDAC8HDAC6
SCHEMBL3540066 0.84 TSHR (0.47) GPR119PDK2HDAC1HDAC8HDAC6

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-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 — — EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 — — CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 — — CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 — — EP disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 — — CN disclosed
US-10919916-B2 Boron-containing small molecules BILL & MELINDA GATES FOUNDATION (US) 2021-02-16 — — US disclosed
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BILL & MELINDA GATES FOUNDATION (US) 2020-08-06 — — US disclosed
US-10611780-B2 Boron-containing small molecules BILL AND MELINDA GATES FOUNDATION (US) 2020-04-07 — — US disclosed
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES GATES FOUNDATION 2019-03-14 — — US disclosed
CN-109195608-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2019-01-11 — — CN disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
CN-101973998-A Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARM INC 2011-02-16 — — CN disclosed
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 — — EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
CN-1816551-A Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2006-08-09 — — CN disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 — — EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 — — EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 — — US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 — — 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 (6 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B GPR119 263/4885PDK2 2181/4885HDAC1 615/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 GPR119 328/4885PDK2 3916/4885HDAC1 1456/4885
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD GPR119 981/4885PDK2 3945/4885HDAC1 1653/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD GPR119 981/4885PDK2 3945/4885HDAC1 1653/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD GPR119 981/4885PDK2 3945/4885HDAC1 1653/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD GPR119 981/4885PDK2 3945/4885HDAC1 1653/4885

“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.