SCHEMBL772631

SCHEMBL772631

CCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCNc1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36
OGFRL1 Q5TC84 3/20 0.36
OPRD1 P41143 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
ELANE P08246 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
GRK6 P43250 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
SCHEMBL771061 0.85 CCNB2 (0.38) OPRM1OPRK1OGFRL1OPRD1CYP1A2
SCHEMBL792794 0.83 BCHE (0.32) PARP1ALDH1A1
SCHEMBL804469 0.82
SCHEMBL12597543 0.78 GABRA2 (0.45) CYP1A2NPSR1MAPTALDH1A1PLA2G1B
SCHEMBL771439 0.76 GAA (0.39) OPRM1OPRK1OGFRL1OPRD1CYP1A2
SCHEMBL771631 0.75 TMEM97 (0.39) MAPTALDH1A1PKM
SCHEMBL772156 0.75 PPARG (0.43) NPSR1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14572879 0.75 ALDH1A1 (0.37) CYP1A2MAPTALDH1A1SMN1; SMN2NR1H4
SCHEMBL14572880 0.75 MAOB (0.43) NPSR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4825561 0.74 SCN9A (0.45) NPSR1ALDH1A1SMN1; SMN2

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-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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 PARP1 1815/4885OPRM1 3434/4885OPRK1 3897/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885OPRM1 3434/4885OPRK1 3897/4885

“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.