SCHEMBL772655

SCHEMBL772655

[CH2]CC1CCCN(C(C)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
FEN1 P39748 1/20 0.39
BRD4 O60885 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL18331515 0.83 CYP4F2 (0.40) CYP4F2CYP4A11FEN1BRD4ALDH1A1
SCHEMBL9921219 0.83 CYP4F2 (0.40) CYP4F2CYP4A11FEN1BRD4ALDH1A1
SCHEMBL4550245 0.83 RAB9A (0.51) CYP4F2CYP4A11FEN1ALDH1A1POLB
SCHEMBL20942599 0.83 RAB9A (0.51) CYP4F2CYP4A11FEN1ALDH1A1POLB
SCHEMBL21665823 0.83 RAB9A (0.51) CYP4F2CYP4A11FEN1ALDH1A1POLB
SCHEMBL12683452 0.83 CYP4F2 (0.40) CYP4F2CYP4A11FEN1BRD4ALDH1A1
SCHEMBL23343843 0.81 CYP4F2 (0.39) CYP4F2CYP4A11FEN1BRD4ALDH1A1
SCHEMBL21049974 0.81 CYP4F2 (0.39) CYP4F2CYP4A11FEN1BRD4ALDH1A1
SCHEMBL16445186 0.81 CYP4F2 (0.39) CYP4F2CYP4A11FEN1BRD4ALDH1A1
SCHEMBL1700711 0.81 CYP4F2 (0.39) CYP4F2CYP4A11FEN1BRD4ALDH1A1

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 CYP4F2 1280/4885CYP4A11 765/4885FEN1 2969/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CYP4F2 1443/4885CYP4A11 722/4885FEN1 4004/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP4F2 1280/4885CYP4A11 765/4885FEN1 2969/4885

“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.