SCHEMBL1038331

SCHEMBL1038331

CC(C)CCn1ccc(Br)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.41
PSMB1 P20618 1/20 0.41
GRM2 Q14416 6/20 0.40
ADRA2A P08913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL29079068 0.82 ACACB (0.42) PSMB5PSMB1ALDH1A1TSHRHSD17B10
SCHEMBL9609776 0.81 ADRA2A (0.42) PSMB5GRM2ADRA2AALDH1A1POLB
SCHEMBL18186968 0.80 ACACB (0.39) GRM2
SCHEMBL1038378 0.79 GRM2 (0.41) PSMB5GRM2ADRA2AALDH1A1POLB
SCHEMBL1039192 0.77 ACACB (0.41) ALDH1A1POLBTSHRNPSR1L3MBTL1
SCHEMBL3670650 0.77 L3MBTL1 (0.36) L3MBTL1
SCHEMBL2536759 0.77 BACE1 (0.31) PSMB5PSMB1ALDH1A1
SCHEMBL29079055 0.76 ACACB (0.42) ALDH1A1HSD17B10
SCHEMBL3658413 0.76 HTR2C (0.44)
SCHEMBL16553415 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041475-B1 PYRAZOLO[1,5-A]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2024-10-09 EP disclosed
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2022-01-06 US disclosed
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones ADDEX PHARMACEUTICALS S.A. (CH) 2021-07-27 US disclosed
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones ADDEX PHARMACEUTICALS S.A. (CH) 2021-07-27 US disclosed
CN-105517553-B Pyrazolo [1,5-a ] pyrimidine-based compounds, compositions comprising the same, and methods of use thereof 莱西肯医药有限公司 2020-03-27 CN disclosed
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2020-02-06 US disclosed
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2020-02-06 US disclosed
US-9862724-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2018-01-09 US disclosed
US-9862724-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2018-01-09 US disclosed
US-20170081330-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-03-23 US disclosed
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240706-A1 1,3-DISUBSTITUTED-4-PHENYL-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240706-A1 1,3-DISUBSTITUTED-4-PHENYL-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240706-A1 1,3-DISUBSTITUTED-4-PHENYL-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
CN-101801951-A 1 ', 3 ' -disubstituted-4-phenyl-3, 4,5, 6-tetrahydro-2H, 1 ' H- [1,4 ' ] bipyridinyl-2 ' -ones ORTHO MCNEIL JANSSEN PHARM 2010-08-11 CN disclosed
CN-101801930-A 1,3-is dibasic-4-phenyl-1 h-pyridin-2-ketone ORTHO MCNEIL JANSSEN PHARM 2010-08-11 CN disclosed
WO-2009033704-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-[1, 4'] BIPYRIDINYL-2'-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2009033703-A1 1,3-DISUBSTITUTED-4-PHENYL-1 H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 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-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones GRM2, GRM1, GRIN2C PSMB5 1352/4885PSMB1 1968/4885GRM2 1/4885
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C PSMB5 1348/4885PSMB1 1914/4885GRM2 1/4885
US-20100240706-A1 1,3-DISUBSTITUTED-4-PHENYL-1H-PYRIDIN-2-ONES GRM2, GRM1, GRIN2C PSMB5 1316/4885PSMB1 1797/4885GRM2 1/4885
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C PSMB5 1348/4885PSMB1 1914/4885GRM2 1/4885
US-20170081330-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 PSMB5 3662/4885PSMB1 2917/4885GRM2 967/4885
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES GRM2, GRM1, GRM3 PSMB5 1448/4885PSMB1 2032/4885GRM2 1/4885

“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.