SCHEMBL771222

SCHEMBL771222

[CH2]CN(C)C(=O)C1CCN(C(C)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F2R P25116 1/20 0.35
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.35
TACR1 P25103 6/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR5 P51681 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL772196 0.90 CCR5 (0.38) MAPTEPHX2EPHX1GAAMEN1
SCHEMBL772082 0.83 SMN1; SMN2 (0.38) BCHEMAPTHSD17B10ITGB3ITGA2B
SCHEMBL25972675 0.81 BCHE (0.42) BCHEMAPTHSD17B10EPHX2EPHX1
SCHEMBL771513 0.80 BCHE (0.40) BCHEITGB3ITGA2BF2RMEN1
SCHEMBL772201 0.77 L3MBTL3 (0.37) MAPTEPHX1
SCHEMBL771883 0.76 GAA (0.41) MAPTEPHX1GAAMEN1KMT2A
SCHEMBL772103 0.76 POLB (0.38) BCHEMAPTMEN1KMT2A
SCHEMBL25041235 0.75 MEN1 (0.41) MAPTHSD17B10EPHX2EPHX1GAA
SCHEMBL771751 0.75 POLB (0.51) MAPTHSD17B10GAAMEN1KMT2A
SCHEMBL7879840 0.75 EPHX2 (0.43) EPHX2EPHX1GAASMN1; 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 7 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
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 BCHE 2576/4885MAPT 3389/4885HSD17B10 1073/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 BCHE 3415/4885MAPT 3246/4885HSD17B10 1323/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCHE 2576/4885MAPT 3389/4885HSD17B10 1073/4885

“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.