SCHEMBL534207

SCHEMBL534207

COCCOc1ccc(Br)c(CCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.40
HTR1A P08908 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CHEK2 O96017 1/20 0.35
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
CBFB Q13951 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
SCHEMBL533960 0.89 CYP2D6 (0.42) SLC6A4HTR1ACYP2D6KDM4EALDH1A1
SCHEMBL925088 0.87 KDM4E (0.38) SLC6A4HTR1ACYP2D6SLC6A2SLC6A3
SCHEMBL8257155 0.84 SLC6A4 (0.40) SLC6A4HTR1ACYP2D6SLC6A2SMN1; SMN2
SCHEMBL8259521 0.80 SLC6A4 (0.41) SLC6A4HTR1ACYP2D6SMN1; SMN2CHEK2
SCHEMBL533873 0.80 SLC6A4 (0.41) SLC6A4HTR1ACYP2D6SMN1; SMN2CHEK2
SCHEMBL14255244 0.78 HDAC1 (0.44) SLC6A4HTR1ACYP2D6CYP3A4HDAC1
SCHEMBL533934 0.78 ALDH1A1 (0.42) CYP2D6CNR2MEN1ALDH1A1KMT2A
SCHEMBL534650 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMEN1ALDH1A1LMNA
SCHEMBL555957 0.75 MTNR1A (0.38) SLC6A4HTR1ACYP2D6SMN1; SMN2CHEK2
SCHEMBL6401187 0.73 CYP2D6 (0.51) SLC6A4HTR1ACYP2D6HDAC1

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 SLC6A4 2645/4885HTR1A 3606/4885CYP2D6 422/4885

“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.