SCHEMBL792136

SCHEMBL792136

COC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
TDO2 P48775 2/20 0.58
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 2/20 0.47
AOC3 Q16853 1/20 0.47
CHRM1 P11229 3/20 0.43
DRD3 P35462 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL30374170 0.84 IDO1 (0.44) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL22530048 0.84 IDO1 (0.48) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL792153 0.82 BCL2L1 (0.55) IDO1TDO2TSHR
SCHEMBL6205426 0.79 AOC3 (0.47) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL791592 0.78 ALDH1A1 (0.47) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL22529901 0.77 HSPB1 (0.51) CYP1A2TSHR
SCHEMBL13929388 0.77 AOC3 (0.46) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL12784519 0.77 AOC3 (0.46) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL8307869 0.77 IDO1 (0.41) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL31395293 0.77 IDO1 (0.49) IDO1TDO2SLC6A3SLC6A2SLC6A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311828-B9 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2016-03-02 EP disclosed
EP-2311828-B1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN (CN) 2015-03-25 EP disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 IDO1 3408/4885TDO2 4567/4885SLC6A3 2991/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI IDO1 3403/4885TDO2 4815/4885SLC6A3 3384/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI IDO1 3403/4885TDO2 4815/4885SLC6A3 3384/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 IDO1 3408/4885TDO2 4567/4885SLC6A3 2991/4885

“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.