SCHEMBL772652

SCHEMBL772652

[CH2]CN(C)C(=O)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
NAAA Q02083 2/20 0.41
BCHE P06276 4/20 0.41
HTT P42858 1/20 0.40
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL771966 0.98 BCHE (0.42) EPHX1NAAABCHEHTTCYP2C19
SCHEMBL771972 0.82 BCHE (0.39) BCHEL3MBTL1
SCHEMBL772546 0.81 CHRM3 (0.51) BCHEMEN1KMT2AALDH1A1
SCHEMBL771662 0.78 BCHE (0.46) EPHX1BCHE
SCHEMBL5622283 0.78 EPHX1 (0.47) EPHX1NAAABCHEHTTCYP2C19
SCHEMBL13648468 0.77 NAAA (0.41) EPHX1NAAABCHEHTTCYP2C19
SCHEMBL15139547 0.77 BCHE (0.58) EPHX1NAAABCHEHTT
SCHEMBL11776636 0.76 EPHX1 (0.46) EPHX1NAAABCHEHTTCYP2C19
SCHEMBL771195 0.76 BCHE (0.35) BCHE
SCHEMBL772230 0.76 POLB (0.44) BCHEHTTL3MBTL1ALDH1A1

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 8 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-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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (3 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 EPHX1 3653/4885NAAA 1436/4885BCHE 2576/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 EPHX1 2426/4885NAAA 2477/4885BCHE 3415/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX1 3653/4885NAAA 1436/4885BCHE 2576/4885

“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.