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SCHEMBL3940992

SCHEMBL3940992

CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@H](NC(=O)N1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 9/20 0.65
▸ KCNH2 Q12809 4/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ SCN5A Q14524 2/20 0.44
▸ SCN9A Q15858 6/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PRKCA P17252 1/20 0.41
▸ MMP12 P39900 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
SCHEMBL3938024 1.00 NR1I2 (0.65) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940163 1.00 NR1I2 (0.65) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL3936833 0.91 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940196 0.90 NR1I2 (0.54) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL3946138 0.90 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL14520014 0.90 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL14520015 0.90 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL4829897 0.89 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13936849 0.89 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL3942214 0.88 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ASCN9A

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-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 — — US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 — — US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 — — US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — 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
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 — — 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 (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-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B NR1I2 168/4885KCNH2 356/4885CYP3A4 25/4885

“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.