SCHEMBL555467

SCHEMBL555467

CC(=O)NCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2cccnc2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.61
KCNH2 Q12809 12/20 0.61
CYP3A4 P08684 2/20 0.43
NAMPT P43490 1/20 0.37
KDM6B O15054 3/20 0.35
KDM4C Q9H3R0 3/20 0.35
CD274 Q9NZQ7 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL555694 0.83 REN (0.85) RENKCNH2CYP3A4
SCHEMBL10202449 0.83 REN (0.85) RENKCNH2CYP3A4
SCHEMBL556727 0.82 REN (0.67) RENKCNH2CYP3A4
SCHEMBL534916 0.79 REN (0.54) RENKCNH2CYP3A4KDM6BKDM4C
SCHEMBL535102 0.78 REN (0.36) RENKCNH2CYP3A4NAMPTKDM4C
SCHEMBL556315 0.77 REN (0.40) RENKCNH2CYP3A4
SCHEMBL557570 0.77 REN (0.43) RENKCNH2
SCHEMBL556728 0.77 REN (0.63) RENKCNH2CYP3A4NAMPTKDM6B
SCHEMBL534491 0.77 SPR (0.37) NAMPT
SCHEMBL533903 0.76 REN (0.46) RENKCNH2CYP3A4CD274MTNR1A

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.