SCHEMBL557170

SCHEMBL557170

COCCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2ccc(NC(C)(C)C)nc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.40
KCNH2 Q12809 7/20 0.40
CYP3A4 P08684 1/20 0.38
VNN1 O95497 6/20 0.34
FAAH O00519 1/20 0.32
BDKRB1 P46663 4/20 0.32
KCNA5 P22460 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
SCHEMBL556485 0.85 REN (0.38) RENKCNH2CYP3A4FAAHKCNA5
SCHEMBL534916 0.85 REN (0.54) RENKCNH2CYP3A4FAAH
SCHEMBL556455 0.85 KCNH2 (0.40) RENKCNH2CYP3A4FAAHKCNA5
SCHEMBL535442 0.80 REN (0.41) RENKCNH2CYP3A4
SCHEMBL535443 0.80 REN (0.41) RENKCNH2CYP3A4
SCHEMBL534353 0.78 REN (0.37) RENKCNH2CYP3A4
SCHEMBL556668 0.74 LIPE (0.36) RENKCNH2CYP3A4
SCHEMBL533878 0.71 REN (0.54) RENKCNH2CYP3A4
SCHEMBL556618 0.70 REN (0.75) RENKCNH2CYP3A4
SCHEMBL7865844 0.70 REN (0.54) 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.