SCHEMBL771983

SCHEMBL771983

[CH2]CN(C)C(=O)C1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
VNN1 O95497 1/20 0.31
GLS O94925 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL772571 0.89 PIK3CD (0.35) PIK3CD
SCHEMBL23469838 0.84 HSD17B10 (0.39) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL15343542 0.84 HSD17B10 (0.39) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL21649512 0.82 HSD17B10 (0.39) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL23432880 0.81 HSD17B10 (0.38) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL23432877 0.79 HSD17B10 (0.37) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL24344800 0.79 PIK3CD (0.45) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL23432878 0.79 HSD17B10 (0.37) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL21649536 0.79 PIK3CD (0.45) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL23879682 0.79 PIK3CD (0.45) HSD17B10SMN1; SMN2KDM4EALDH1A1KMT2A

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 HSD17B10 1073/4885SMN1; SMN2 4306/4885KDM4E 2725/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HSD17B10 1323/4885SMN1; SMN2 4399/4885KDM4E 1949/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HSD17B10 1073/4885SMN1; SMN2 4306/4885KDM4E 2725/4885

“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.