SCHEMBL899425

SCHEMBL899425

CC(C)OC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.60
SCN5A Q14524 5/20 0.60
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
RORC P51449 2/20 0.40
SCARB1 Q8WTV0 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.86 SCN9A (0.64) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL1260945 0.85 SCN9A (0.65) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL900323 0.82 SCN9A (0.64) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL6367996 0.82 SCN9A (0.64) SCN9ASCN5ADRD2SLC6A4RORC
SCHEMBL12051156 0.77 SCN9A (0.51) SCN9ASCN5ADRD2SLC6A4HTR6
SCHEMBL900238 0.77 SCN9A (0.41) SCN9ASCN5ACA12CA1CA2
SCHEMBL6454359 0.77 SCN9A (0.41) SCN9ASCN5ACA12CA1CA2
SCHEMBL12051155 0.76 SCN9A (0.53) SCN9ASCN5ADRD2SLC6A4HTR6
SCHEMBL28472685 0.76 APP (0.55) SCN9ASCN5ADRD2SLC6A4
SCHEMBL14615090 0.75 SCN9A (0.52) SCN9ASCN5ADRD2SLC6A4HTR6

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
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-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
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-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 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
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
WO-2012044520-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 WO disclosed
WO-2012044520-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 WO disclosed
WO-2012041771-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 WO disclosed
WO-2012041771-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 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 (6 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-20120122887-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 SCN9A 829/4885SCN5A 547/4885CA12 2828/4885
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST SCN9A 400/4885SCN5A 1250/4885CA12 4065/4885
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION SLC10A1, HAVCR2, GOT2 SCN9A 3205/4885SCN5A 2348/4885CA12 1872/4885
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR SLC10A1, HAVCR2, ABL1 SCN9A 651/4885SCN5A 351/4885CA12 3583/4885
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION HAVCR2, EIF2AK2, SLC10A1 SCN9A 3837/4885SCN5A 3151/4885CA12 2593/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 SCN9A 829/4885SCN5A 547/4885CA12 2828/4885

“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.