SCHEMBL555657

SCHEMBL555657

CC(C)(C)OC(=O)N1CC[C@](O)(c2ccc(F)c(F)c2)[C@@H](c2onc(-c3cccc4ccccc34)c2Br)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.62
KCNH2 Q12809 9/20 0.62
CYP3A4 P08684 9/20 0.49
RORC P51449 3/20 0.37
ALK Q9UM73 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
SCD5 Q86SK9 1/20 0.34
BACE1 P56817 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 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
SCHEMBL557228 0.90 REN (0.53) RENKCNH2CYP3A4RORCALK
SCHEMBL555815 0.90 REN (0.61) RENKCNH2CYP3A4RORCALK
SCHEMBL533844 0.89 REN (0.63) RENKCNH2CYP3A4RORCALK
SCHEMBL555594 0.89 REN (0.63) RENKCNH2CYP3A4RORCALK
SCHEMBL555742 0.89 REN (0.62) RENKCNH2CYP3A4RORCALK
SCHEMBL556767 0.89 REN (0.48) RENKCNH2CYP3A4RORCALK
SCHEMBL556026 0.87 REN (0.56) RENKCNH2CYP3A4RORCALK
SCHEMBL556815 0.87 REN (0.52) RENKCNH2CYP3A4RORCALK
SCHEMBL557036 0.86 REN (0.60) RENKCNH2CYP3A4RORC
SCHEMBL555970 0.85 REN (0.50) RENKCNH2CYP3A4RORCALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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 (1 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1198/4885CYP3A4 766/4885

“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.