Sugi Predict

Sugi Predict / Compounds / SCHEMBL4140477

SCHEMBL4140477

SCHEMBL4140477

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C=C(C(=O)C1CNCCO1)Cc1ccccc1-3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.35
▸ PRKCA P17252 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ GHSR Q92847 1/20 0.32
▸ REN P00797 4/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SSTR4 P31391 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ SSTR2 P30874 1/20 0.31
▸ SSTR3 P32745 1/20 0.31
▸ SSTR5 P35346 1/20 0.31

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
SCHEMBL4831159 0.91 PRKCA (0.40) NR1I2PRKCAMMP12GHSRSCN9A
SCHEMBL4822935 0.85 PRKCA (0.39) NR1I2PRKCAMMP12SCN9ACNR2
SCHEMBL3852754 0.84 PRKCA (0.41) NR1I2PRKCAMMP12SCN9ACNR2
SCHEMBL4140481 0.81 NR1I2 (0.51) NR1I2PRKCAMMP12SCN9ACNR2
SCHEMBL3939810 0.81 PRKCA (0.35) PRKCAMMP12GHSRSCN9ASSTR4
SCHEMBL5337210 0.81 PRKCA (0.41) NR1I2PRKCAMMP12GHSRREN
SCHEMBL4827985 0.79 HDAC1 (0.38) NR1I2PRKCAMMP12SCN9ACNR2
SCHEMBL4822224 0.78 SCN9A (0.39) NR1I2PRKCAMMP12SCN9ACNR2
SCHEMBL3896716 0.75 PRKCA (0.46) NR1I2PRKCAMMP12SCN9AHPGD
SCHEMBL3085163 0.75 SCN9A (0.42) NR1I2PRKCAMMP12SCN9ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121694-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2009-11-25 — — EP disclosed
EP-2118110-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS Bristol-Myers Squibb Company (US) 2009-11-18 — — EP disclosed
US-7538102-B2 Compounds for the treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-26 — — US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 — — US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 — — US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 — — US disclosed
WO-2008112851-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 — — WO disclosed
WO-2008111978-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 — — WO disclosed
US-7399758-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-07-15 — — US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 — — WO disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 — — US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 — — US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 — — US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 — — 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 (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-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885PRKCA 3639/4885MMP12 4396/4885
US-20080226592-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, OAT NR1I2 158/4885PRKCA 2112/4885MMP12 2054/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B NR1I2 168/4885PRKCA 3560/4885MMP12 4163/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 NR1I2 201/4885PRKCA 3639/4885MMP12 4396/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885PRKCA 3479/4885MMP12 3512/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885PRKCA 3479/4885MMP12 3512/4885

“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.