SCHEMBL556315

SCHEMBL556315

COCCCc1cc(OCCOC)ccc1-c1ccc(C2CN(C(=O)O)CCC2c2cccnc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
FAAH O00519 5/20 0.38
KCNH2 Q12809 1/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
DGAT2 Q96PD7 2/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL535102 0.85 REN (0.36) RENKCNH2POLBRXFP1MEN1
SCHEMBL10202451 0.82 REN (0.49) RENKCNH2CYP3A4
SCHEMBL534916 0.82 REN (0.54) RENFAAHKCNH2MCL1CYP3A4
SCHEMBL557570 0.82 REN (0.43) RENKCNH2MMP8MMP13
SCHEMBL556180 0.79 REN (0.38) RENMEN1CYP3A4KMT2ACCR5
SCHEMBL555467 0.77 REN (0.61) RENKCNH2CYP3A4
SCHEMBL556668 0.77 LIPE (0.36) RENKCNH2CYP3A4FFAR4
SCHEMBL534289 0.75 REN (0.41) RENKCNH2SLC6A2SLC6A4OPRK1
SCHEMBL534491 0.73 SPR (0.37) CCR5
SCHEMBL557571 0.73 REN (0.41) RENKCNH2MCL1MEN1CYP3A4

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 1/4885FAAH 331/4885KCNH2 1198/4885

“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.