SCHEMBL663544

SCHEMBL663544

COC(C)c1ccc(C)c(CN(C(=O)O)C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SLC6A2 P23975 8/20 0.35
SLC6A4 P31645 8/20 0.35
SLC6A3 Q01959 6/20 0.35
S1PR1 P21453 3/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CYP2D6 P10635 3/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL662474 0.85 SLC6A2 (0.36) RENKEAP1NFE2L2SLC6A2SLC6A4
SCHEMBL663545 0.75 REN (0.47) RENKCNH2
SCHEMBL664156 0.73 REN (0.39) RENSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4357159 0.71 KDM4E (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL10417835 0.65 AKR1C2 (0.51) SLC6A2SLC6A4ALDH1A1KDM4ECYP2D6
SCHEMBL23093614 0.64 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL267746 0.64 LMNA (0.40) ALDH1A1
SCHEMBL2671605 0.63 HDAC3 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL3370759 0.63 AGER (0.55) DCUN1D1
SCHEMBL1072359 0.62 SLC6A4 (0.42) RENSLC6A2SLC6A4SLC6A3ALDH1A1

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KEAP1 393/4885NFE2L2 2743/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885KEAP1 449/4885NFE2L2 3022/4885

“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.