SCHEMBL660648

SCHEMBL660648

CC(C#N)(Cc1ccc(CCCO[Si](C)(C)C(C)(C)C)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.55
SLC6A4 P31645 1/20 0.45
CYP3A4 P08684 2/20 0.43
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39

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
SCHEMBL661932 0.87 REN (0.55) RENSLC6A4CYP3A4
SCHEMBL663699 0.84 REN (0.77) RENCYP3A4CTSDCTSE
SCHEMBL662936 0.83 REN (0.54) RENSLC6A4CYP3A4
SCHEMBL664824 0.83 SLC6A4 (0.43) RENSLC6A4CYP3A4
SCHEMBL663164 0.71 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL8171105 0.67 SLC6A4 (0.59) RENSLC6A4CYP3A4
SCHEMBL662733 0.66 REN (0.53) RENSLC6A4CYP3A4
SCHEMBL662533 0.65 SLC6A4 (0.53) RENSLC6A4CYP3A4
SCHEMBL5072308 0.63 SLC6A4 (0.76) RENSLC6A4CYP3A4
SCHEMBL19208399 0.63 DUT (0.36)

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 1/4885SLC6A4 1352/4885CYP3A4 774/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885SLC6A4 2577/4885CYP3A4 531/4885

“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.