SCHEMBL772201

SCHEMBL772201

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.37
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 3/20 0.35
MAPT P10636 2/20 0.34
LTA4H P09960 1/20 0.34
NPY5R Q15761 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX1 P07099 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
SCHEMBL770638 0.89 LTA4H (0.41) L3MBTL3ALDH1A1L3MBTL1MAPTLTA4H
SCHEMBL2104475 0.85 CHRNB2 (0.41)
SCHEMBL8280857 0.84 MCHR1 (0.46) L3MBTL3ALDH1A1L3MBTL1MCHR1MAPT
SCHEMBL8280873 0.84 MCHR1 (0.46) L3MBTL3ALDH1A1L3MBTL1MCHR1MAPT
SCHEMBL771282 0.82 PGR (0.38)
SCHEMBL8144730 0.81 HRH3 (0.41) L3MBTL3ALDH1A1MCHR1LTA4HNPY5R
SCHEMBL26617906 0.81 ALDH1A1 (0.39) L3MBTL3ALDH1A1L3MBTL1MCHR1
SCHEMBL8138752 0.81 HRH3 (0.41) L3MBTL3ALDH1A1MCHR1LTA4HNPY5R
SCHEMBL8145343 0.80 MCHR1 (0.38) L3MBTL3ALDH1A1MCHR1LTA4H
SCHEMBL1196740 0.80 L3MBTL3 (0.50) L3MBTL3L3MBTL1MCHR1NPY5REPHX1

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 L3MBTL3 4656/4885ALDH1A1 750/4885L3MBTL1 4435/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 L3MBTL3 4656/4885ALDH1A1 750/4885L3MBTL1 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.