SCHEMBL771548

SCHEMBL771548

[CH2]CN1CCCC(C(=O)N(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.62
HTT P42858 3/20 0.44
KDM4E B2RXH2 6/20 0.44
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL19815625 0.85 BCHE (0.68) BCHEHTTKDM4EPKMSMN1; SMN2
SCHEMBL13102206 0.82 BCHE (0.78) BCHEKDM2B
SCHEMBL14505194 0.81 BCHE (0.59) BCHEHTTKDM4EPKMSMN1; SMN2
SCHEMBL21047272 0.81 BCHE (0.59) BCHEHTTKDM4EPKMSMN1; SMN2
SCHEMBL14505196 0.81 BCHE (0.59) BCHEHTTKDM4EPKMSMN1; SMN2
Bromide SCHEMBL10773365 0.81 BCHE (0.86) BCHE
SCHEMBL21047487 0.80 BCHE (0.66) BCHEHTTKDM4EPKMSMN1; SMN2
SCHEMBL4899707 0.79 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL21047445 0.78 BCHE (0.64) BCHEHTTKDM4EPKMSMN1; SMN2
SCHEMBL12225623 0.75 BCHE (0.56) BCHEHTTKDM4ESMN1; SMN2ALDH1A1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2576/4885HTT 1606/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BCHE 2576/4885HTT 1606/4885KDM4E 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.