SCHEMBL899454

SCHEMBL899454

COC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.64
SCN5A Q14524 5/20 0.64
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL1260945 0.99 SCN9A (0.65) SCN9ASCN5ABRD4CREBBPALDH1A1
SCHEMBL12051155 0.89 SCN9A (0.53) SCN9ASCN5ABRD4CREBBPALDH1A1
SCHEMBL28472685 0.89 APP (0.55) SCN9ASCN5ABRD4CREBBPCNR1
SCHEMBL14615090 0.88 SCN9A (0.52) SCN9ASCN5ABRD4CREBBPCNR1
SCHEMBL12051156 0.87 SCN9A (0.51) SCN9ASCN5ABRD4CREBBPCNR1
SCHEMBL899425 0.86 SCN9A (0.60) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL6367996 0.85 SCN9A (0.64) SCN9ASCN5AALDH1A1DRD2SLC6A4
SCHEMBL900323 0.85 SCN9A (0.64) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL196105 0.85 SCN9A (0.50) SCN9ASCN5AALDH1A1NPSR1ATM
SCHEMBL12190627 0.84 SCN9A (0.48) SCN9ASCN5ABRD4CREBBPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-8598183-B2 Solid state forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
WO-2013147749-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013147749-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013149147-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013149147-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013147750-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 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-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 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-7332614-B2 Process for cross coupling indoles BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2008-02-19 US disclosed
US-7332614-B2 Process for cross coupling indoles BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2008-02-19 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 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 (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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 SCN9A 1756/4885SCN5A 978/4885BRD4 673/4885
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES DCLK2, DCLK1, TTL SCN9A 2090/4885SCN5A 1245/4885BRD4 727/4885
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST SCN9A 400/4885SCN5A 1250/4885BRD4 3373/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 SCN9A 829/4885SCN5A 547/4885BRD4 1067/4885

“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.