SCHEMBL825027

SCHEMBL825027

CCOC(=O)C(=Cc1cc(OC)ccc1Br)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.55
MAPT P10636 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
PLIN1 O60240 1/20 0.55
POLB P06746 1/20 0.55
PLIN5 Q00G26 1/20 0.55
ABHD5 Q8WTS1 1/20 0.55
NPSR1 Q6W5P4 4/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
MAPK1 P28482 1/20 0.51
FBP1 P09467 2/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL16709336 0.89 FBP1 (0.46) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL11405158 0.84 LMNA (0.68) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL8131194 0.82 MAPT (0.68) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL28461706 0.80 HDAC3 (0.40) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL7833052 0.80 MAPT (0.64) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL8651801 0.78 MAPT (0.59) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL8651798 0.78 MAPT (0.59) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL8432135 0.78 MEN1 (0.66) LMNAMAPTMEN1KMT2APLIN1
SCHEMBL19257215 0.78 MAOB (0.48) MAPTMEN1KMT2AFBP1KDM4E
SCHEMBL396592 0.77 KDM4E (0.66) LMNAMAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556204-B2 Methods and intermediates for the preparation of (4bS,5aR)-12-cyclohexyl-N-(N,N-dimethylsulfamoyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo [3.2.1]octane-8-carbonyl)-4b,5,5a,6-tetrahydrobenzo [3,4]cyclopropa[5,6]azepino[1,2-A]indole-9-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556204-B2 Methods and intermediates for the preparation of (4bS,5aR)-12-cyclohexyl-N-(N,N-dimethylsulfamoyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo [3.2.1]octane-8-carbonyl)-4b,5,5a,6-tetrahydrobenzo [3,4]cyclopropa[5,6]azepino[1,2-A]indole-9-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556204-B2 Methods and intermediates for the preparation of (4bS,5aR)-12-cyclohexyl-N-(N,N-dimethylsulfamoyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo [3.2.1]octane-8-carbonyl)-4b,5,5a,6-tetrahydrobenzo [3,4]cyclopropa[5,6]azepino[1,2-A]indole-9-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
EP-3091022-A2 METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3- METHOXY-5A-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE Bristol-Myers Squibb Holdings Ireland (CH) 2016-11-09 EP disclosed
EP-3091022-A2 METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3- METHOXY-5A-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE Bristol-Myers Squibb Holdings Ireland (CH) 2016-11-09 EP disclosed
EP-2875030-B1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3- METHOXY-5A-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-10-26 EP disclosed
EP-2875030-B1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3- METHOXY-5A-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-10-26 EP disclosed
EP-2875030-A1 NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4BS,5AR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5A-((1 R,5S) -3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4B,5,5A,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE Bristol-Myers Squibb Holdings Ireland (CH) 2015-05-27 EP disclosed
US-20150133654-A1 NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4bS,5aR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5a-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4b,5,5a,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20150133654-A1 NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4bS,5aR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5a-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4b,5,5a,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20090162318-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-06-25 US disclosed
WO-2009067108-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-28 WO disclosed
US-7521443-B2 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7521443-B2 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7456166-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
WO-2007136982-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 WO disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 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 (4 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-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS LMNA 3938/4885MAPT 3833/4885MEN1 4862/4885
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma ZC3HAV1, ODC1, MED1 LMNA 241/4885MAPT 4710/4885MEN1 4057/4885
US-20150133654-A1 NOVEL METHODS AND INTERMEDIATES FOR THE PREPARATION OF (4bS,5aR)-12-CYCLOHEXYL-N-(N,N-DIMETHYLSULFAMOYL)-3-METHOXY-5a-((1R,5S)-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBONYL)-4b,5,5a,6-TETRAHYDROBENZO [3,4]CYCLOPROPA[5,6]AZEPINO[1,2-A]INDOLE-9-CARBOXAMIDE HTR3C, HTR2C, HTR1B LMNA 1848/4885MAPT 4256/4885MEN1 3806/4885
US-20090162318-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS LMNA 3938/4885MAPT 3833/4885MEN1 4862/4885

“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.