SCHEMBL534258

SCHEMBL534258

COCCCc1ccc(Br)c(CC#N)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.34
CSNK2A1 P68400 2/20 0.32
DAO P14920 1/20 0.32
SLC6A4 P31645 1/20 0.30
BACE1 P56817 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
SCHEMBL534604 0.80 CYP2C8 (0.36) CYP2C8DAOSLC6A4
SCHEMBL28783294 0.73 LOXL2 (0.39) CSNK2A1
SCHEMBL21736824 0.72 CYP2C8 (0.36) CYP2C8DAOBACE1
SCHEMBL533923 0.71 MTNR1A (0.48)
SCHEMBL31099061 0.71 HTR1A (0.40) SLC6A4
SCHEMBL898226 0.71 HTR1A (0.40) SLC6A4
SCHEMBL17157472 0.69 PTPRC (0.40) CSNK2A1BACE1
SCHEMBL15716257 0.69 MAOB (0.36) SLC6A4
SCHEMBL2794148 0.69 CSNK2A1 (0.40) CSNK2A1
SCHEMBL4858 0.68 TAAR1 (0.47) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP2C8 344/4885CSNK2A1 4458/4885DAO 1687/4885

“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.