SCHEMBL704878

SCHEMBL704878

C=CCc1cc[c]cc1Br

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL7051562 0.84 GABRA1 (0.33) GABRA1GABRB2MEN1MAPTMAPK1
SCHEMBL2536793 0.81 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL703794 0.76 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL10588785 0.73 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL27431762 0.72
SCHEMBL21194014 0.72
SCHEMBL458035 0.72
SCHEMBL5822189 0.72 GABRA1 (0.50) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL6594676 0.72 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL2301007 0.72 ALDH1A1 (0.43) GABRA1GABRB2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US claimed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US claimed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO claimed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US claimed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US claimed
WO-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 WO claimed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO disclosed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 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 (4 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-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN GABRA1 4754/4885GABRB2 4739/4885MEN1 3885/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 GABRA1 4792/4885GABRB2 4790/4885MEN1 4037/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 GABRA1 4803/4885GABRB2 4781/4885MEN1 4019/4885
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN GABRA1 4754/4885GABRB2 4739/4885MEN1 3885/4885

“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.