SCHEMBL556870

SCHEMBL556870

CCOC(=O)NCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2ccn(C)c(=O)c2)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.75
KCNH2 Q12809 8/20 0.75
CYP3A4 P08684 1/20 0.44
CHRM3 P20309 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL534449 0.93 REN (0.66) RENKCNH2CYP3A4CHRM3PTGDR2
SCHEMBL535144 0.92 REN (0.74) RENKCNH2CYP3A4PTGDR2MAPT
SCHEMBL556618 0.89 REN (0.75) RENKCNH2CYP3A4CHRM3PTGDR2
SCHEMBL534057 0.86 REN (0.58) RENKCNH2CYP3A4CHRM3DPP4
SCHEMBL10202579 0.86 REN (1.00) RENKCNH2CYP3A4
SCHEMBL535511 0.84 REN (0.66) RENKCNH2CYP3A4PTGDR2
SCHEMBL557684 0.82 REN (0.61) RENKCNH2CYP3A4CHRM3
SCHEMBL556463 0.81 REN (0.58) RENKCNH2CYP3A4LMNATP53
SCHEMBL10202578 0.79 REN (1.00) RENKCNH2CYP3A4
SCHEMBL557351 0.79 REN (0.88) 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.