SCHEMBL4469941

SCHEMBL4469941

Cc1nn(C)c(N2CCCOCC2)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SLC9A1 P19634 1/20 0.34
GAA P10253 2/20 0.33
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2256173 0.94 HTT (0.44) HTTSMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL4488795 0.79 HTT (0.47) HTTSMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL4472434 0.75 GAA (0.36) SMN1; SMN2ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL12844552 0.73 GAA (0.37) SMN1; SMN2ALDH1A1HPGDKDM4ESLC9A1
SCHEMBL19719534 0.73 SMN1; SMN2 (0.44) HTTSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL12776141 0.72 GAA (0.39) HTTSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL13683097 0.70 SMN1; SMN2 (0.56) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL13457980 0.70 PIK3R1 (0.42) SMN1; SMN2ALDH1A1HPGDKDM4EGAA
SCHEMBL15332254 0.69 HTT (0.39) HTTSMN1; SMN2ALDH1A1GAAPIK3CA
SCHEMBL19719535 0.68 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 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 (3 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT HTT 4396/4885SMN1; SMN2 3606/4885ALDH1A1 792/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT HTT 4396/4885SMN1; SMN2 3606/4885ALDH1A1 792/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT HTT 4396/4885SMN1; SMN2 3606/4885ALDH1A1 792/4885

“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.