SCHEMBL7872329

SCHEMBL7872329

CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2N)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.75
KCNH2 Q12809 17/20 0.75
CYP3A4 P08684 5/20 0.69
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL10263831 0.92 REN (0.63) RENKCNH2CYP3A4
SCHEMBL7868962 0.86 REN (1.00) RENKCNH2CYP3A4CHRM1CHRM3
SCHEMBL556066 0.86 REN (1.00) RENKCNH2CYP3A4CHRM1CHRM3
SCHEMBL7876061 0.84 REN (0.73) RENKCNH2CYP3A4CHRM1CHRM3
SCHEMBL7865848 0.83 REN (0.52) RENKCNH2CYP3A4
SCHEMBL556726 0.80 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556921 0.80 REN (1.00) RENKCNH2CYP3A4
SCHEMBL10202449 0.77 REN (0.85) RENKCNH2CYP3A4
SCHEMBL555694 0.77 REN (0.85) RENKCNH2CYP3A4
SCHEMBL7872527 0.75 REN (0.61) RENKCNH2CYP3A4CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO 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.