SCHEMBL1260403

SCHEMBL1260403

CCOC(=O)c1ccc2c(c1)c(C)c(-c1ccccc1)n2C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
PIK3CA P42336 1/20 0.45
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44

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
SCHEMBL1260412 0.87 L3MBTL1 (0.54) ALDH1A1OGFRL1ALOX15KDM4EL3MBTL1
SCHEMBL1261235 0.86 TUBB4A (0.43) ALDH1A1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL5141799 0.84 MEN1 (0.52) ALDH1A1MAPK1PIK3CAOPRM1OPRK1
SCHEMBL12894488 0.83 TUBB4A (0.42) ALDH1A1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL3750336 0.73 RPS6KB1 (0.42) ALDH1A1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL1260664 0.73 L3MBTL1 (0.47) ALDH1A1OPRM1OPRK1OGFRL1OPRD1
SCHEMBL5513984 0.72 SIRT2 (0.56) OPRM1OPRK1OGFRL1OPRD1L3MBTL1
SCHEMBL5513980 0.72 SIRT2 (0.56) OPRM1OPRK1OGFRL1OPRD1L3MBTL1
SCHEMBL12051172 0.72 RPS6KB1 (0.48) ALDH1A1MAPK1OPRM1OPRK1OGFRL1
SCHEMBL885809 0.72 OPRM1 (0.47) ALDH1A1MAPK1OPRM1OPRK1OGFRL1

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 17 patents. 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
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-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1891950-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP 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-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 WO disclosed
WO-2003010140-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH 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 (5 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 ALDH1A1 3616/4885MAPK1 1244/4885TUBB4A 2843/4885
US-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 ALDH1A1 2167/4885MAPK1 737/4885TUBB4A 1980/4885
US-20060293306-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, POLR2A ALDH1A1 3405/4885MAPK1 903/4885TUBB4A 1597/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 ALDH1A1 3899/4885MAPK1 866/4885TUBB4A 3936/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 ALDH1A1 2367/4885MAPK1 929/4885TUBB4A 3359/4885

“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.