SCHEMBL772660

SCHEMBL772660

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NOS2 P35228 6/20 0.41
NOS3 P29474 5/20 0.41
NOS1 P29475 5/20 0.41
NCF1 P14598 1/20 0.38
KMT2A Q03164 1/20 0.36
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
LTA4H P09960 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL772542 0.89 SIGMAR1 (0.40) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL1451963 0.80
SCHEMBL8854868 0.79 KDM4E (0.44) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL2099469 0.78
SCHEMBL21872467 0.77 NOS2 (0.43) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL21872465 0.77 KDM4E (0.42) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL14980283 0.76 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL10202213 0.76 NCF1 (0.46) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL13162838 0.76 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1
SCHEMBL13046392 0.76 KDM4E (0.41) KDM4EALDH1A1NOS2NOS3NOS1

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 KDM4E 2725/4885ALDH1A1 750/4885NOS2 3536/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KDM4E 2725/4885ALDH1A1 750/4885NOS2 3536/4885

“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.