Sugi Predict

Sugi Predict / Compounds / SCHEMBL2288741

SCHEMBL2288741

SCHEMBL2288741

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3)[nH]c2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PLA2G2A P14555 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 5/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL12377184 0.90 TUBB4A (0.39) KDM4EALDH1A1HPGDNPSR1SLC6A3
SCHEMBL2282545 0.81 RIPK1 (0.35) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL2291117 0.77 HTR2A (0.40) KDM4EMAPT
SCHEMBL5443018 0.77 PARP1 (0.47) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL12377187 0.75 SLC6A3 (0.36) KDM4EALDH1A1HPGDNPSR1SLC6A3
SCHEMBL2285344 0.74 GABRG2 (0.38) CNR1CNR2KDM4ECYP1A2CYP2D6
SCHEMBL3745604 0.73 SCN9A (0.38) CYP2D6CYP2C9CYP2C19KMT2AMEN1
SCHEMBL2290536 0.72 NR4A2 (0.44) KDM4EALDH1A1HPGDNR4A2
SCHEMBL5444969 0.72 KDM4E (0.46) KDM4ECYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL5444125 0.71 PARP1 (0.47) ALDH1A1MAPTHPGDDYRK1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 — — US disclosed
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 — — US disclosed
US-7998951-B2 treating hepatitis C infection; 6-cyclohexyl-2,3-dihydro-5-phenyl-1,4-oxazino[2,3,4-hi]indole-9-carboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-16 — — US disclosed
WO-2008109584-A1 HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-12 — — WO disclosed
WO-2008109584-A1 HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-12 — — WO disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 — — US disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 — — US disclosed
US-20080221090-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 — — 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 (1 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-20080221090-A1 HCV NS5B Inhibitors EIF2AK2, HAVCR2, EIF5B CNR1 2299/4885CNR2 3369/4885KDM4E 2394/4885

“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.