SCHEMBL534488

SCHEMBL534488

COCCCc1cccc(C)c1Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SCN8A Q9UQD0 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
PTGER4 P35408 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31
TYMS P04818 1/20 0.31
PTGER1 P34995 1/20 0.31
KDM4E B2RXH2 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.30
DAO P14920 1/20 0.30
KMT2A Q03164 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
SCHEMBL6355829 0.89 GABRA1 (0.39) GABRA1GABRB2SCN8ATAAR1ALOX5
SCHEMBL6355831 0.87 GABRA1 (0.38) GABRA1GABRB2SCN8ATAAR1ALOX5
SCHEMBL7875699 0.82 GABRA1 (0.61) GABRA1GABRB2ALOX5PTGS2TYMS
SCHEMBL30529905 0.81 ESR1 (0.38) SCN8ATAAR1ALOX5PTGS2PTGER4
SCHEMBL8819214 0.81 TAAR1 (0.52) SCN8ATAAR1ALOX5PTGS2KDM4E
SCHEMBL27592582 0.79 GABRA1 (0.45) GABRA1GABRB2TAAR1ALOX5PTGS2
SCHEMBL30817990 0.78 GABRA1 (0.39) GABRA1GABRB2TAAR1PTGER4PTGER3
SCHEMBL17979977 0.78 GABRA1 (0.39) GABRA1GABRB2TAAR1PTGER4PTGER3
SCHEMBL6351804 0.77 GABRA1 (0.41) GABRA1GABRB2TAAR1KDM4ECYP1A2
SCHEMBL534456 0.76 TAAR1 (0.50) TAAR1CYP1A2CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 WO disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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 (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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 GABRA1 1386/4885GABRB2 774/4885SCN8A 4097/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 GABRA1 2123/4885GABRB2 1370/4885SCN8A 4016/4885

“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.