SCHEMBL973974

SCHEMBL973974

COC(=O)c1ccc2c(C3CCC(F)(F)C3)cn(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.50
SCN5A Q14524 5/20 0.50
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.41
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
APP P05067 1/20 0.37
RORC P51449 1/20 0.37
EDNRA P25101 1/20 0.36

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
SCHEMBL12051156 0.93 SCN9A (0.51) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL15177794 0.86 SCN9A (0.48) SCN9ASCN5ADRD2SLC6A4APP
SCHEMBL899454 0.83 SCN9A (0.64) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL1260945 0.82 SCN9A (0.65) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL28472685 0.80 APP (0.55) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL12051155 0.80 SCN9A (0.53) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL12051160 0.79 SCN9A (0.47) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL12927838 0.79 DRD2 (0.43) SCN9ASCN5ADRD2SLC6A4APP
SCHEMBL14615090 0.79 SCN9A (0.52) SCN9ASCN5ABRD4CREBBPCNR2
SCHEMBL12190627 0.78 SCN9A (0.48) SCN9ASCN5ABRD4CREBBPCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103333162-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
CN-103319464-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-25 CN disclosed
CN-103304541-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-18 CN disclosed
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
CN-102911161-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-02-06 CN disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
CN-1984908-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-20 CN disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
CN-1922174-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-02-28 CN disclosed
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
US-20060052418-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-09 US disclosed
WO-2006007693-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
US-20050222236-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 US disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 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 (2 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-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 SCN9A 390/4885SCN5A 1444/4885BRD4 603/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E SCN9A 333/4885SCN5A 1345/4885BRD4 812/4885

“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.