SCHEMBL771639

SCHEMBL771639

CC(=O)N1CCC(N(C)[C]=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
EPHX1 P07099 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
NPY5R Q15761 3/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL772150 0.91 L3MBTL3 (0.39) EPHX2EPHX1L3MBTL3NPY5R
SCHEMBL771727 0.80 EPHX1 (0.38) EPHX1L3MBTL3CYP1A2SMN1; SMN2
SCHEMBL4550247 0.79 L3MBTL3 (0.58) EPHX2EPHX1L3MBTL3NPY5RCYP1A2
SCHEMBL14997483 0.78 EPHX2 (0.43) EPHX2EPHX1L3MBTL3NPY5RCYP1A2
SCHEMBL19710577 0.78 KDM4E (0.45) EPHX2EPHX1L3MBTL3NPY5RCYP1A2
SCHEMBL3023627 0.76 HPGD (0.50) EPHX1SMN1; SMN2
SCHEMBL220870 0.76 EPHX2 (0.42) EPHX2EPHX1L3MBTL3NPY5RCYP1A2
SCHEMBL13803962 0.76 NPY5R (0.47) EPHX2EPHX1L3MBTL3NPY5RCYP1A2
SCHEMBL20002211 0.76 EPHX2 (0.42) EPHX2EPHX1L3MBTL3NPY5RCYP1A2
SCHEMBL771123 0.75 HTR2A (0.40) KDM4EALDH1A1

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 EPHX2 2282/4885EPHX1 3653/4885L3MBTL3 4656/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 EPHX2 2733/4885EPHX1 2426/4885L3MBTL3 4272/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX2 2282/4885EPHX1 3653/4885L3MBTL3 4656/4885

“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.