SCHEMBL771636

SCHEMBL771636

[CH2]CN1CCC(=O)N(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
PIK3CD O00329 1/20 0.44
POLB P06746 1/20 0.35
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20393643 0.81 BRD4 (0.48) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL23133704 0.76 BRD4 (0.43) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL25664018 0.76 PIK3CD (0.70) BRD4BRD2PIK3CDNPC1RAB9A
SCHEMBL13607427 0.76 DRD2 (0.47) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL15697002 0.75 BRD4 (0.42) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL13178389 0.75 GNAI3 (0.52) BRD4BRD2PIK3CDPOLB
SCHEMBL17433536 0.74 BRD4 (0.68) BRD4BRD2PIK3CDPOLB
SCHEMBL17433520 0.74 BRD4 (0.68) BRD4BRD2PIK3CDPOLBRAB9A
SCHEMBL3430001 0.72
SCHEMBL13600604 0.72 BRD4 (0.39) BRD4BRD2PIK3CDPOLBNPC1

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 BRD4 446/4885BRD2 2254/4885PIK3CD 1700/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BRD4 446/4885BRD2 2254/4885PIK3CD 1700/4885

“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.