SCHEMBL773607

SCHEMBL773607

CCOC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CCOCc3ccccc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
CCR3 P51677 1/20 0.36
CSNK1D P48730 1/20 0.35
ELANE P08246 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PLA2G1B P04054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 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
SCHEMBL14606917 0.88 CCR3 (0.37) CCR3CSNK1DELANEALDH1A1NPSR1
SCHEMBL792765 0.84 LTA4H (0.34) ADORA3TLR8TLR7ALDH1A1
SCHEMBL773608 0.83 GABRA2 (0.41) TLR8TLR7ALDH1A1NPSR1CYP1A2
SCHEMBL771453 0.82 NR1H4 (0.39) ADORA3CCR3TLR8TLR7NR1H4
SCHEMBL772326 0.82 HRH2 (0.41) ADORA3MAPK1
SCHEMBL12597539 0.81 CYP1A2 (0.42) CSNK1DELANENR1H4ALDH1A1NPSR1
SCHEMBL771437 0.81 ALDH1A1 (0.39) CSNK1DELANEALDH1A1NPSR1CYP1A2
SCHEMBL771452 0.79 KIT (0.35) ADORA3NR1H4FAAHGABRA2
SCHEMBL12597543 0.76 GABRA2 (0.45) NR1H4ALDH1A1PLA2G1BNPSR1ATG4B
SCHEMBL772327 0.72 F2RL3 (0.45) CSNK1DALDH1A1CYP1A2MAPTGABRA2

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 7 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
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 ADORA3 4643/4885CCR3 2486/4885CSNK1D 1932/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ADORA3 4643/4885CCR3 2486/4885CSNK1D 1932/4885

“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.