SCHEMBL556455

SCHEMBL556455

COCCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2cnccc2NC(C)(C)C)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.40
REN P00797 7/20 0.40
KDM6B O15054 8/20 0.36
KDM4C Q9H3R0 8/20 0.36
FAAH O00519 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNA5 P22460 2/20 0.33
CHRM3 P20309 1/20 0.32

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 0.87 REN (0.38) KCNH2RENFAAHCYP3A4KCNA5
SCHEMBL534916 0.85 REN (0.54) KCNH2RENKDM6BKDM4CFAAH
SCHEMBL557170 0.85 REN (0.40) KCNH2RENFAAHCYP3A4KCNA5
SCHEMBL534353 0.78 REN (0.37) KCNH2RENCYP3A4
SCHEMBL535442 0.77 REN (0.41) KCNH2RENCYP3A4CHRM3
SCHEMBL535443 0.77 REN (0.41) KCNH2RENCYP3A4CHRM3
SCHEMBL556668 0.71 LIPE (0.36) KCNH2RENCYP3A4CHRM3
SCHEMBL556727 0.69 REN (0.67) KCNH2RENCYP3A4
SCHEMBL533878 0.69 REN (0.54) KCNH2RENCYP3A4
SCHEMBL535102 0.68 REN (0.36) KCNH2RENKDM4CCYP3A4

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 KCNH2 1198/4885REN 1/4885KDM6B 3264/4885

“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.