SCHEMBL557036

SCHEMBL557036

CC(C)(C)OC(=O)N1CC[C@](O)(c2ccc(F)c(F)c2)[C@@H](c2onc(-c3c(Cl)cccc3Cl)c2Br)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.60
CYP3A4 P08684 8/20 0.60
KCNH2 Q12809 8/20 0.60
NR1H4 Q96RI1 7/20 0.38
RORC P51449 2/20 0.37

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
SCHEMBL555742 0.92 REN (0.62) RENCYP3A4KCNH2RORC
SCHEMBL555815 0.92 REN (0.61) RENCYP3A4KCNH2RORC
SCHEMBL557210 0.91 REN (0.50) RENCYP3A4KCNH2NR1H4RORC
SCHEMBL533844 0.87 REN (0.63) RENCYP3A4KCNH2RORC
SCHEMBL555594 0.87 REN (0.63) RENCYP3A4KCNH2RORC
SCHEMBL555657 0.86 REN (0.62) RENCYP3A4KCNH2RORC
SCHEMBL557228 0.85 REN (0.53) RENCYP3A4KCNH2RORC
SCHEMBL556767 0.85 REN (0.48) RENCYP3A4KCNH2RORC
SCHEMBL555714 0.84 REN (0.60) RENCYP3A4KCNH2
SCHEMBL556589 0.84 REN (0.60) RENCYP3A4KCNH2

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 1/4885CYP3A4 766/4885KCNH2 1198/4885

“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.