SCHEMBL1260089

SCHEMBL1260089

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)n(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.59
CYP2C19 P33261 12/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP1A2 P05177 1/20 0.56
SCN9A Q15858 6/20 0.51
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4809086 0.99 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1261240 0.89 CYP3A4 (0.62) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL14147690 0.88 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL1260727 0.88 CYP3A4 (0.61) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL13006977 0.86 CYP3A4 (0.56) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL13006958 0.83 SCN9A (0.53) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL13756750 0.83 CYP3A4 (0.67) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4806227 0.83 CYP3A4 (0.69) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL14384308 0.83 CYP3A4 (0.72) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL12596869 0.82 CYP3A4 (0.67) CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7803944-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-28 US disclosed
US-7803944-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-28 US disclosed
US-7803944-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-28 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 US disclosed
US-20060293306-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE L 2006-12-28 US disclosed
US-7141574-B2 Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-11-28 US disclosed
US-20060160798-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-20 US disclosed
EP-1414441-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
EP-1414797-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-05-06 EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 US disclosed
US-20030176433-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-18 US disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 WO disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 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 (4 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-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 CYP3A4 482/4885CYP2C19 725/4885CYP2C9 1393/4885
US-20060293306-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, POLR2A CYP3A4 430/4885CYP2C19 726/4885CYP2C9 1539/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 CYP3A4 247/4885CYP2C19 839/4885CYP2C9 604/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 CYP3A4 295/4885CYP2C19 456/4885CYP2C9 715/4885

“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.