SCHEMBL661553

SCHEMBL661553

Cc1ccc(CCO)cc1CN(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.38
HTR2A P28223 4/20 0.38
NR1H4 Q96RI1 1/20 0.38
HSD11B1 P28845 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
KDM1A O60341 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL1751809 0.90 REN (0.45) RENKCNH2CYP3A4
SCHEMBL662475 0.89 REN (0.44) RENHTR2ANR1H4HSD11B1KCNH2
SCHEMBL1518385 0.88 REN (0.47) RENKCNH2CYP3A4
SCHEMBL664806 0.84 HTR2A (0.37) RENHTR2ANR1H4HSD11B1SLC6A2
SCHEMBL664156 0.83 REN (0.39) RENSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1072359 0.82 SLC6A4 (0.42) RENHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL1081990 0.82 HTR2A (0.38) HTR2ANR1H4HSD11B1KDM1AHDAC8
SCHEMBL1518498 0.82 REN (0.43) RENHTR2ANR1H4HSD11B1SLC6A2
SCHEMBL1752126 0.80 REN (0.43) RENHTR2AHSD11B1KCNH2CYP3A4
SCHEMBL1751224 0.80 REN (0.45) RENHTR2AKCNH2CYP3A4

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-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

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 1/4885HTR2A 3689/4885NR1H4 235/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885HTR2A 4397/4885NR1H4 503/4885

“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.