SCHEMBL1260945

SCHEMBL1260945

COC(=O)c1ccc2c(C3CCCCC3)cn(C)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.65
SCN5A Q14524 5/20 0.65
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
RORC P51449 1/20 0.41

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
SCHEMBL899454 0.99 SCN9A (0.64) SCN9ASCN5AALDH1A1NPSR1ATM
SCHEMBL12051155 0.88 SCN9A (0.53) SCN9ASCN5AALDH1A1NPSR1ATM
SCHEMBL28472685 0.88 APP (0.55) SCN9ASCN5ABRD4CREBBPCNR1
SCHEMBL14615090 0.87 SCN9A (0.52) SCN9ASCN5ABRD4CREBBPCNR1
SCHEMBL196105 0.86 SCN9A (0.50) SCN9ASCN5AALDH1A1NPSR1ATM
SCHEMBL12051156 0.86 SCN9A (0.51) SCN9ASCN5ABRD4CREBBPCNR1
SCHEMBL899425 0.85 SCN9A (0.60) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL4830054 0.85 SCN9A (0.49) SCN9ASCN5AALDH1A1NPSR1ATM
SCHEMBL6367996 0.84 SCN9A (0.64) SCN9ASCN5AALDH1A1DRD2SLC6A4
SCHEMBL900323 0.84 SCN9A (0.64) SCN9ASCN5ADRD2SLC6A4RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102424680-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-04-25 CN disclosed
CN-1558759-B Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD 2012-01-25 CN disclosed
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-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-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
CN-1610546-A Viral polymerase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2005-04-27 CN disclosed
CN-1558759-A Viral polymerase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-29 CN 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 (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-20030176433-A1 Viral polymerase inhibitors NR4A1, RCOR1, RER1 SCN9A 1198/4885SCN5A 768/4885ALDH1A1 2167/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 SCN9A 1507/4885SCN5A 702/4885ALDH1A1 3899/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 SCN9A 655/4885SCN5A 323/4885ALDH1A1 2367/4885

“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.