SCHEMBL4054604

SCHEMBL4054604

Clc1cccc(Cl)c1Nc1ccccc1CCBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.58
CXCL8 P10145 4/20 0.58
TTR P02766 3/20 0.58
PTGS1 P23219 2/20 0.58
AKR1B10 O60218 1/20 0.58
UGT1A9 O60656 1/20 0.58
TRPA1 O75762 1/20 0.58
ABCB11 O95342 1/20 0.58
MT-CO2 P00403 1/20 0.58
ALB P02768 1/20 0.58
UGT1A6 P19224 1/20 0.58
UGT1A1 P22309 1/20 0.58
CXCR1 P25024 1/20 0.58
ADRA1A P35348 1/20 0.58
AGTR2 P50052 1/20 0.58
NR1I3 Q14994 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
UGT1A7 Q9HAW7 1/20 0.58
UGT1A10 Q9HAW8 1/20 0.58

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
SCHEMBL13653119 0.86 PTGS2 (0.61) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL21724927 0.83 PTGS2 (0.62) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL4558747 0.83 TAAR1 (0.58) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL13909059 0.83 PTGS2 (0.58) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL9641224 0.80 PTGS2 (0.63) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL3805962 0.80 PTGS2 (0.51) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL3807421 0.79 TAAR1 (0.62) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL764380 0.79 PTGS2 (0.66) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL31325350 0.79 PTGS2 (0.66) PTGS2CXCL8TTRPTGS1AKR1B10
SCHEMBL13653118 0.79 PTGS2 (0.61) PTGS2CXCL8TTRPTGS1AKR1B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667770-B1 METHOD FOR THE PRODUCTION OF DERIVATIVES OF 4A,5,9,10,11,12-HEXAHYDROBENZOFURO [3A,3,2][ 2]- BENZAZEPINE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2009-03-11 EP disclosed
US-20070105837-A1 Novel derivatives of 4a,5,9,10,11,12-hexahydrobenzofuro[3a,3,2][2]-benzazepine, method for the production thereof and use thereof in the production of medicaments SANOCHEMIA PHARMAZEUTIKA AG (AT) 2007-05-10 US disclosed
EP-1667770-A2 NOVEL DERIVATIVES OF 4A,5,9,10,11,12-HEXAHYDROBENZOFURO [3A,3,2][ 2]- BENZAZEPINE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF MEDICAMENTS Sanochemia Pharmazeutica Aktiengesellschaft (AT) 2006-06-14 EP disclosed
WO-2005030333-A2 NOVEL DERIVATIVES OF 4A,5,9,10,11,12-HEXAHYDROBENZOFURO[3A,3,2] [2]- BENZAZEPINE, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN THE PRODUCTION OF MEDICAMENTS SANOCHEMIA PHARMAZEUTIKA AG (AT) 2005-04-07 WO 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 (1 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-20070105837-A1 Novel derivatives of 4a,5,9,10,11,12-hexahydrobenzofuro[3a,3,2][2]-benzazepine, method for the production thereof and use thereof in the production of medicaments CYP4B1, CYP4Z1, HTR3C PTGS2 1626/4885CXCL8 4538/4885TTR 3668/4885

“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.