SCHEMBL535144

SCHEMBL535144

CCC(=O)NCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2ccn(C)c(=O)c2)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.74
KCNH2 Q12809 8/20 0.74
CYP3A4 P08684 1/20 0.46
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH2 P05091 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CCR4 P51679 1/20 0.33

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
SCHEMBL556618 0.93 REN (0.75) RENKCNH2CYP3A4TAAR1PTGDR2
SCHEMBL556870 0.92 REN (0.75) RENKCNH2CYP3A4PTGDR2LMNA
SCHEMBL534449 0.89 REN (0.66) RENKCNH2CYP3A4ALDH2PTGDR2
SCHEMBL534057 0.89 REN (0.58) RENKCNH2CYP3A4ALDH2
SCHEMBL10202576 0.85 REN (1.00) RENKCNH2CYP3A4
SCHEMBL557684 0.84 REN (0.61) RENKCNH2CYP3A4MTNR1AMTNR1B
SCHEMBL535511 0.83 REN (0.66) RENKCNH2CYP3A4MTNR1AMTNR1B
SCHEMBL556463 0.82 REN (0.58) RENKCNH2CYP3A4MTNR1AMTNR1B
SCHEMBL557351 0.80 REN (0.88) RENKCNH2CYP3A4
SCHEMBL7869106 0.78 REN (1.00) 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 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
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP 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.