SCHEMBL772196

SCHEMBL772196

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 3/20 0.37
EPHX1 P07099 1/20 0.37
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL771222 0.90 BCHE (0.36) CCR5MAPTEPHX2EPHX1MEN1
SCHEMBL3275014 0.84 BCHE (0.44) CCR5MAPTKDM4EEPHX2EPHX1
SCHEMBL772103 0.82 POLB (0.38) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL771883 0.82 GAA (0.41) MAPTEPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL12436051 0.80 KDM4E (0.43) CCR5MAPTKDM4EEPHX2EPHX1
SCHEMBL770638 0.79 LTA4H (0.41) MAPTEPHX2EPHX1CYP1A2TDP1
SCHEMBL771433 0.77 RIPK1 (0.41) CCR5KDM4EPOLBMEN1KMT2A
SCHEMBL772610 0.77 POLB (0.60) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL772082 0.76 SMN1; SMN2 (0.38) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL771513 0.76 BCHE (0.40) KDM4EPOLBMEN1KMT2A

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 CCR5 484/4885MAPT 3389/4885KDM4E 2725/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CCR5 786/4885MAPT 3246/4885KDM4E 1949/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CCR5 484/4885MAPT 3389/4885KDM4E 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.