SCHEMBL771463

SCHEMBL771463

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
GRM5 P41594 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 5/20 0.37
CYP2C19 P33261 4/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
CYP2C9 P11712 3/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
CYP2D6 P10635 3/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL770483 0.78 CYP1A2 (0.43) CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL16099259 0.77 GRM5 (0.50) CYP1A2GRM5L3MBTL1MAPTKMT2A
SCHEMBL5949006 0.75 L3MBTL1 (0.44) CYP1A2GRM5L3MBTL1MAPTKMT2A
SCHEMBL612354 0.75 L3MBTL1 (0.44) CYP1A2GRM5L3MBTL1MAPTKMT2A
Hydrochloric Acid SCHEMBL3319581 0.74 L3MBTL1 (0.43) CYP1A2GRM5L3MBTL1MAPTKMT2A
SCHEMBL19113454 0.74 L3MBTL1 (0.43) CYP1A2GRM5L3MBTL1MAPTKMT2A
SCHEMBL8603867 0.73
SCHEMBL20617537 0.73 L3MBTL1 (0.53) CYP1A2L3MBTL1MAPTKMT2AALDH1A1
SCHEMBL771702 0.73
SCHEMBL361306 0.70 L3MBTL1 (0.47) CYP1A2L3MBTL1MAPTKMT2AALDH1A1

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 1549/4885GRM5 4000/4885L3MBTL1 4435/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CYP1A2 617/4885GRM5 3541/4885L3MBTL1 3931/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP1A2 1549/4885GRM5 4000/4885L3MBTL1 4435/4885

“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.