SCHEMBL791939

SCHEMBL791939

COc1ccccc1OCC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
CHRNB4 P30926 2/20 0.59
CHRNA3 P32297 2/20 0.59
ADRA2C P18825 1/20 0.55
HTR2C P28335 2/20 0.54
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTR3A P46098 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR1A P08908 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KHK P50053 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
GNAI3 P08754 1/20 0.47
RIPK1 Q13546 1/20 0.46
KDM1A O60341 1/20 0.46
IKBKB O14920 1/20 0.45

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
Hydrochloric Acid SCHEMBL1474990 0.98 TDP1 (0.62) TDP1CHRNB4CHRNA3ADRA2CHTR2C
SCHEMBL1477493 0.90 ADRA2C (0.59) TDP1CHRNB4CHRNA3ADRA2CHTR2C
SCHEMBL28324572 0.88 CHRNB4 (0.58) TDP1CHRNB4CHRNA3ADRA2CHTR2C
SCHEMBL29993440 0.88 CHRNB4 (0.58) TDP1CHRNB4CHRNA3ADRA2CHTR2C
SCHEMBL28754655 0.87 SLC6A2 (0.55) TDP1CHRNB4CHRNA3HTR2CSLC6A2
Hydrochloric Acid SCHEMBL1475150 0.85 TDP1 (0.54) TDP1CHRNB4CHRNA3HTR2CSLC6A2
SCHEMBL5780734 0.85 SLC6A4 (0.54) TDP1CHRNB4CHRNA3HTR2CSLC6A2
SCHEMBL27599494 0.84 HTR2C (0.51) TDP1CHRNB4CHRNA3ADRA2CHTR2C
SCHEMBL2240409 0.83 ALDH1A1 (0.56) TDP1HTR2CSLC6A2SLC6A4HTR3A
SCHEMBL2299760 0.83 ADRA2C (0.57) TDP1CHRNB4CHRNA3ADRA2CHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 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-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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 TDP1 3276/4885CHRNB4 4879/4885CHRNA3 4868/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TDP1 3889/4885CHRNB4 4876/4885CHRNA3 4851/4885
US-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 TDP1 4394/4885CHRNB4 1052/4885CHRNA3 628/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TDP1 3276/4885CHRNB4 4879/4885CHRNA3 4868/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 TDP1 2438/4885CHRNB4 2356/4885CHRNA3 2106/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 TDP1 3063/4885CHRNB4 1730/4885CHRNA3 1395/4885

“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.