SCHEMBL555602

SCHEMBL555602

COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCN(C)C(=O)O)cc2C)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.79
KCNH2 Q12809 15/20 0.79
CYP3A4 P08684 6/20 0.54
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL10202784 0.88 REN (0.90) RENKCNH2CYP3A4
SCHEMBL10202564 0.88 REN (1.00) RENKCNH2CYP3A4
SCHEMBL557004 0.87 REN (0.89) RENKCNH2CYP3A4
SCHEMBL556072 0.87 REN (0.88) RENKCNH2CYP3A4
SCHEMBL556829 0.83 REN (0.72) RENKCNH2CYP3A4
SCHEMBL10202781 0.82 REN (0.88) RENKCNH2CYP3A4
SCHEMBL10202799 0.79 REN (0.83) RENKCNH2CYP3A4
SCHEMBL10202814 0.78 REN (0.82) RENKCNH2CYP3A4
SCHEMBL7869277 0.78 REN (0.81) RENKCNH2CYP3A4
SCHEMBL10202566 0.78 REN (0.81) RENKCNH2CYP3A4

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.