SCHEMBL772272

SCHEMBL772272

[CH2]CN1[C@H](C)CCC[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
MGLL Q99685 1/20 0.34
LTA4H P09960 1/20 0.33
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
POLB P06746 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL772273 1.00 ACHE (0.37) ACHEMGLLLTA4HRECQLALDH1A1
SCHEMBL1786983 0.88
SCHEMBL2005669 0.79 LTA4H (0.38) ACHEMGLLLTA4HHRH3HRH2
SCHEMBL3543013 0.74 ACHE (0.39) ACHEMGLLLTA4HRECQLALDH1A1
SCHEMBL6902050 0.74 ACHE (0.39) ACHEMGLLLTA4HRECQLALDH1A1
SCHEMBL13407651 0.74 ACHE (0.39) ACHEMGLLLTA4HRECQLALDH1A1
SCHEMBL23828674 0.72 HRH3 (0.44) LTA4HHRH3HRH2HRH1MAOB
SCHEMBL2058182 0.72 MGLL (0.39) ACHEMGLLLTA4HRECQLALDH1A1
SCHEMBL17706248 0.72 ACHE (0.37) ACHEMGLLLTA4HRECQLALDH1A1
SCHEMBL14125682 0.72 ACHE (0.37) ACHEMGLLLTA4HRECQLALDH1A1

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 ACHE 3981/4885MGLL 3945/4885LTA4H 3551/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ACHE 3981/4885MGLL 3945/4885LTA4H 3551/4885

“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.