SCHEMBL557035

SCHEMBL557035

CC(=O)NCCc1ccccc1-c1ccc(C2CN(C(=O)OC(C)(C)C)CCC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.43
KCNH2 Q12809 8/20 0.43
CYP3A4 P08684 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CD274 Q9NZQ7 8/20 0.37
PDK4 Q16654 1/20 0.36
MGAT2 Q10469 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL556192 0.89 ABCB1 (0.39) RENKCNH2USP30CD274
SCHEMBL533903 0.88 REN (0.46) RENKCNH2CYP3A4CD274MTNR1A
SCHEMBL5161957 0.77 GPR119 (0.43) USP30PDK4
SCHEMBL30783165 0.77 GPR119 (0.43) USP30PDK4
SCHEMBL534760 0.76 REN (0.60) RENKCNH2CYP3A4MTNR1AMTNR1B
SCHEMBL557260 0.75 ESR2 (0.51) USP30PDK4
SCHEMBL5156097 0.74 NR1H2 (0.41)
SCHEMBL31385916 0.74 HSP90AA1 (0.39) USP30
SCHEMBL556727 0.72 REN (0.67) RENKCNH2CYP3A4USP30
SCHEMBL556537 0.72 KCNH2 (0.72) 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.