SCHEMBL556727

SCHEMBL556727

CC(=O)NCCc1ccccc1-c1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccnc2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.67
KCNH2 Q12809 6/20 0.67
CYP3A4 P08684 1/20 0.49
USP30 Q70CQ3 3/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
TACR1 P25103 1/20 0.38
KDM1A O60341 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
BTK Q06187 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 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
SCHEMBL7868962 0.80 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556066 0.80 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556728 0.80 REN (0.63) RENKCNH2CYP3A4
SCHEMBL557048 0.79 GPR119 (0.46) CYP3A4USP30TACR1GPR119CCNK
SCHEMBL534916 0.78 REN (0.54) RENKCNH2CYP3A4
SCHEMBL535511 0.74 REN (0.66) RENKCNH2CYP3A4
SCHEMBL10202449 0.72 REN (0.85) RENKCNH2CYP3A4
SCHEMBL555694 0.72 REN (0.85) RENKCNH2CYP3A4
SCHEMBL557035 0.72 REN (0.43) RENKCNH2CYP3A4USP30
SCHEMBL557570 0.71 REN (0.43) RENKCNH2

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.