SCHEMBL770638

SCHEMBL770638

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 3/20 0.39
MAPT P10636 2/20 0.39
EPHX1 P07099 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
NPY5R Q15761 3/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL772201 0.89 L3MBTL3 (0.37) LTA4HALDH1A1L3MBTL1MAPTEPHX1
SCHEMBL14344778 0.83 ALDH1A1 (0.43) LTA4HALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL24029432 0.81 LTA4H (0.41) LTA4HALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL2104475 0.81 CHRNB2 (0.41) CYP1A2TDP1
SCHEMBL772209 0.81 GPR119 (0.39) L3MBTL1EPHX1L3MBTL3
SCHEMBL23507377 0.80 ALDH1A1 (0.43) LTA4HALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL13207157 0.80 LTA4H (0.40) LTA4HALDH1A1L3MBTL1EPHX2EPHX1
SCHEMBL772196 0.79 CCR5 (0.38) EPHX2MAPTEPHX1CYP1A2TDP1
SCHEMBL26227804 0.79 PIK3CD (0.49) LTA4HALDH1A1
SCHEMBL220870 0.79 EPHX2 (0.42) ALDH1A1EPHX2EPHX1L3MBTL3NPY5R

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-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 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

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 LTA4H 3551/4885ALDH1A1 750/4885L3MBTL1 4435/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB LTA4H 180/4885ALDH1A1 2409/4885L3MBTL1 2778/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LTA4H 3551/4885ALDH1A1 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.