SCHEMBL770649

SCHEMBL770649

COC(=O)N1CCC(NC=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
ADH1B P00325 4/20 0.46
ADH1A P07327 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
ADH1C P00326 3/20 0.43
ADH7 P40394 2/20 0.43
ADH4 P08319 1/20 0.42
BRD4 O60885 2/20 0.38
BRDT Q58F21 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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
SCHEMBL772153 0.89 EPHX1 (0.41) EPHX1ADH1BADH1AL3MBTL1THRB
SCHEMBL3174479 0.84 L3MBTL1 (0.67) L3MBTL1THRBATMALDH1A1
SCHEMBL1307319 0.83 EPHX1 (0.60) EPHX1L3MBTL1THRBALDH1A1USP2
SCHEMBL14368333 0.83 OPRK1 (0.42) EPHX1ADH1BADH1AL3MBTL1THRB
SCHEMBL771581 0.81 EPHX2 (0.53) EPHX1ADH1BADH1AADH1CADH7
SCHEMBL14368354 0.79 L3MBTL1 (0.60) L3MBTL1THRBATMALDH1A1
SCHEMBL12051421 0.79 EPHX1 (0.50) EPHX1L3MBTL1THRBATMBRD4
SCHEMBL6247547 0.79 ADH1B (0.52) EPHX1ADH1BADH1AL3MBTL1THRB
SCHEMBL6582665 0.78 LMNA (0.52) L3MBTL1THRBATMALDH1A1
SCHEMBL825289 0.77 EPHX1 (0.42) EPHX1L3MBTL1THRBATMBRD4

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 3653/4885ADH1B 2444/4885ADH1A 807/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 EPHX1 2426/4885ADH1B 585/4885ADH1A 363/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX1 3653/4885ADH1B 2444/4885ADH1A 807/4885

“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.