SCHEMBL792098

SCHEMBL792098

COCc1cc(C(=O)N(C)C)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.49
TACR2 P21452 1/20 0.49
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 1/20 0.45
CNR1 P21554 2/20 0.42
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
F10 P00742 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL792151 0.92 ALDH1A1 (0.44) TACR1TACR2SLC6A4SLC6A2SLC6A3
SCHEMBL791976 0.90 TACR1 (0.46) TACR1TACR2SLC6A4SLC6A2SLC6A3
SCHEMBL791690 0.89 PDK2 (0.40) TACR1TACR2SLC6A4SLC6A2SLC6A3
SCHEMBL792063 0.88 HSD17B1 (0.44) TACR1TACR2SLC6A4SLC6A2SLC6A3
SCHEMBL792075 0.88 TACR1 (0.39) TACR1TACR2SLC6A4SLC6A2SLC6A3
SCHEMBL792109 0.87 HSP90AA1 (0.48) MAPTCYP1A2ALDH1A1HPGDSMN1; SMN2
SCHEMBL10252263 0.87 FYN (0.40) TACR1TACR2SLC6A4SLC6A2CYP11B1
SCHEMBL792204 0.87 CYP1A2 (0.42) TACR1TACR2SLC6A4SLC6A2KCNH2
SCHEMBL792216 0.87 PDK2 (0.42) TACR1TACR2SLC6A4SLC6A2PDK2
SCHEMBL792129 0.85 MRGPRX4 (0.48) FFAR1FFAR4

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 11 patents. 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-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-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 TACR1 1420/4885TACR2 2016/4885SLC6A4 4166/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI TACR1 1954/4885TACR2 2707/4885SLC6A4 4098/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI TACR1 1954/4885TACR2 2707/4885SLC6A4 4098/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TACR1 1420/4885TACR2 2016/4885SLC6A4 4166/4885

“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.