SCHEMBL555872

SCHEMBL555872

CC(=O)NCCc1ccccc1-c1onc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)c(F)c2)c1Br

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.68
KCNH2 Q12809 12/20 0.68
CYP3A4 P08684 10/20 0.68
GPR119 Q8TDV5 2/20 0.37
IDO1 P14902 1/20 0.37
TACR1 P25103 1/20 0.37
NTRK1 P04629 1/20 0.37
USP30 Q70CQ3 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL556954 1.00 REN (0.68) RENKCNH2CYP3A4GPR119IDO1
SCHEMBL557232 0.87 REN (0.63) RENKCNH2CYP3A4NTRK1USP30
SCHEMBL556563 0.83 REN (0.47) RENKCNH2CYP3A4
SCHEMBL556978 0.82 REN (0.72) RENKCNH2CYP3A4IDO1
SCHEMBL557655 0.81 REN (1.00) RENKCNH2CYP3A4
SCHEMBL557233 0.80 REN (0.64) RENKCNH2CYP3A4NTRK1
SCHEMBL556955 0.80 REN (0.64) RENKCNH2CYP3A4NTRK1
SCHEMBL555873 0.80 REN (0.64) RENKCNH2CYP3A4NTRK1
SCHEMBL556501 0.78 REN (0.61) RENKCNH2CYP3A4IDO1USP30
SCHEMBL556391 0.77 REN (0.77) 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.