SCHEMBL770483

SCHEMBL770483

[CH2]C=C1CCN(C(C)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTAFR P25105 1/20 0.39
PIK3CD O00329 1/20 0.35
GFER P55789 2/20 0.35
CASP6 P55212 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
QDPR P09417 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
SCHEMBL13900984 0.80 CYP1A2 (0.44) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL13804058 0.78 CYP1A2 (0.43) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL771463 0.78 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1066347 0.75 CYP1A2 (0.48) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL13900987 0.74 CYP1A2 (0.39) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL13308642 0.74 CYP1A2 (0.39) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL13900985 0.72 NOTUM (0.47) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL13900836 0.72 NOTUM (0.47) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL11070126 0.72 CYP1A2 (0.50) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2
SCHEMBL14720829 0.72 CYP1A2 (0.50) CYP1A2TDP1NOTUMKDM4ESMN1; SMN2

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 CYP1A2 1549/4885TDP1 3276/4885NOTUM 548/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CYP1A2 617/4885TDP1 1858/4885NOTUM 372/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP1A2 1549/4885TDP1 3276/4885NOTUM 548/4885

“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.