SCHEMBL662474

SCHEMBL662474

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 6/20 0.36
CCR5 P51681 1/20 0.35
REN P00797 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HTR2A P28223 6/20 0.35
HSD11B1 P28845 1/20 0.34
CYP2D6 P10635 3/20 0.33
KDM4D Q6B0I6 1/20 0.33
S1PR1 P21453 1/20 0.33
CHRM3 P20309 1/20 0.32
KCNH2 Q12809 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL663544 0.85 REN (0.36) SLC6A2SLC6A4SLC6A3RENCYP2D6
SCHEMBL1072359 0.80 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3RENHTR2A
SCHEMBL662475 0.78 REN (0.44) RENNR1H4HTR2AHSD11B1KCNH2
SCHEMBL661553 0.77 REN (0.38) SLC6A2SLC6A4SLC6A3RENNR1H4
SCHEMBL1518385 0.77 REN (0.47) RENKCNH2
SCHEMBL664806 0.76 HTR2A (0.37) SLC6A2SLC6A4SLC6A3RENNR1H4
SCHEMBL1518392 0.75 NR1H4 (0.43) SLC6A2SLC6A4SLC6A3RENNR1H4
SCHEMBL1518389 0.75 NR1H4 (0.43) SLC6A2SLC6A4SLC6A3RENNR1H4
SCHEMBL5015044 0.73 ACHE (0.42) SLC6A4CYP2D6
SCHEMBL14036696 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3RENNR1H4

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 SLC6A2 374/4885SLC6A4 1352/4885SLC6A3 782/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SLC6A2 912/4885SLC6A4 2577/4885SLC6A3 1838/4885

“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.