SCHEMBL13868653

SCHEMBL13868653

COc1ccc2c(c1)C1CC1(C(=O)N1CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(N)(=O)=O)cc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 10/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
KCNH2 Q12809 7/20 0.59
SCN5A Q14524 2/20 0.59
ACHE P22303 2/20 0.36
SCN9A Q15858 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL2348323 1.00 NR1I2 (0.70) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2343463 0.94 NR1I2 (0.71) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14079867 0.93 NR1I2 (0.81) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12450298 0.93 NR1I2 (0.81) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2348962 0.91 NR1I2 (0.73) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14391683 0.90 KCNH2 (0.69) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12809626 0.86 KCNH2 (0.80) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL14391684 0.85 KCNH2 (0.71) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL13843582 0.85 NR1I2 (0.70) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL4905819 0.85 NR1I2 (0.70) NR1I2CYP3A4CYP2C9CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521444-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7521444-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-20080226590-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226590-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
WO-2008112841-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 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-20080226590-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885CYP3A4 214/4885CYP2C9 345/4885

“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.