SCHEMBL2982986

SCHEMBL2982986

C=CC1CC1(NC(=O)C1CN(C(=O)OC(C)(C)C)Cc2c[nH]nc21)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.33
NR1H2 P55055 1/20 0.32
PREP P48147 2/20 0.30
TAOK3 Q9H2K8 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL2982987 1.00 NAMPT (0.33) NAMPTNR1H2PREPTAOK3ALOX15
SCHEMBL2979044 0.89 NR1H2 (0.34) NAMPTNR1H2
SCHEMBL8220942 0.88 NAMPT (0.34) NAMPTNR1H2PREPTAOK3
SCHEMBL8213557 0.84 NAMPT (0.35) NAMPTNR1H2PREPTAOK3
SCHEMBL2977167 0.83 CYP3A4 (0.41)
SCHEMBL2977165 0.83 CYP3A4 (0.41)
SCHEMBL2965453 0.78 NAMPT (0.39) NAMPTNR1H2PREPTAOK3
SCHEMBL2970151 0.73 NR1H2 (0.41) NAMPTNR1H2PREP
SCHEMBL13864025 0.73 CYP3A4 (0.31)
SCHEMBL13221484 0.72 SCN9A (0.36) NAMPTNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781474-B2 Inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-08-24 US disclosed
US-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2008-01-24 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-20080019942-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, GTF3C3 NAMPT 2134/4885NR1H2 469/4885PREP 650/4885

“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.