SCHEMBL662637

SCHEMBL662637

CC(C)(C)OC(=O)N(Cc1cc(Br)cc(Cl)c1Cl)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.47
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 4/20 0.39
KCNH2 Q12809 6/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL663586 0.87 REN (0.43) RENSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL1071679 0.85 REN (0.44) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1071896 0.84 REN (0.43) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1074074 0.83 REN (0.43) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1518498 0.83 REN (0.43) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1071734 0.83 REN (0.43) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1072457 0.82 REN (0.45) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1080226 0.81 REN (0.51) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL663046 0.81 REN (0.42) RENSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1072163 0.81 REN (0.42) RENSLC6A4SLC6A2SLC6A3KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
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-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 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 (3 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 REN 1/4885SLC6A4 1884/4885SLC6A2 2227/4885
US-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885SLC6A4 1352/4885SLC6A2 374/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885SLC6A4 1521/4885SLC6A2 1979/4885

“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.