SCHEMBL533960

SCHEMBL533960

COCCCc1cc(OCCOC)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.42
SLC6A4 P31645 3/20 0.42
HTR1A P08908 2/20 0.42
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.36
FBP1 P09467 1/20 0.36
MAOB P27338 1/20 0.36
MAOA P21397 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DAO P14920 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
PPARG P37231 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
SCHEMBL534207 0.89 SLC6A4 (0.40) CYP2D6SLC6A4HTR1AMAPK1KDM4E
SCHEMBL925088 0.84 KDM4E (0.38) CYP2D6SLC6A4HTR1ACYP1A2MAPK1
SCHEMBL533873 0.83 SLC6A4 (0.41) CYP2D6SLC6A4HTR1AMAPK1KDM4E
SCHEMBL8259521 0.83 SLC6A4 (0.41) CYP2D6SLC6A4HTR1AMAPK1KDM4E
SCHEMBL8257155 0.82 SLC6A4 (0.40) CYP2D6SLC6A4HTR1AKDM4EFBP1
SCHEMBL533934 0.79 ALDH1A1 (0.42) CYP2D6ALDH1A1PPARG
SCHEMBL925429 0.78 CYP2D6 (0.33) CYP2D6SLC6A4HTR1ACYP1A2MAPK1
SCHEMBL534650 0.76 SMN1; SMN2 (0.51) MAPK1KDM4EMAOADYRK1AALDH1A1
SCHEMBL3720545 0.76 CYP2D6 (0.32) CYP2D6SLC6A4HTR1ACYP1A2MAPK1
SCHEMBL555957 0.76 MTNR1A (0.38) CYP2D6SLC6A4HTR1ABRD4PPARG

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 5 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
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
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 CYP2D6 422/4885SLC6A4 2645/4885HTR1A 3606/4885

“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.