SCHEMBL660635

SCHEMBL660635

CN(C)CCCc1ccc(Cl)c(CN(C(=O)O)C2(C(C)(C)C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR2A P28223 1/20 0.33
GSTO1 P78417 1/20 0.32
FPR3 P25089 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL663588 0.78 ALDH1A1 (0.38) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL660632 0.77 LMNA (0.37) RENLMNASIGMAR1ALDH1A1MEN1
SCHEMBL661970 0.75 REN (0.56) RENKCNH2
SCHEMBL661971 0.73 REN (0.40) RENLMNASIGMAR1ALDH1A1MEN1
SCHEMBL16738392 0.72 REN (0.35) RENLMNAALDH1A1MEN1KMT2A
SCHEMBL660634 0.71 REN (0.39) RENLMNASIGMAR1ALDH1A1MEN1
SCHEMBL16738539 0.71 MEN1 (0.35) RENLMNAALDH1A1MEN1KMT2A
SCHEMBL663048 0.70
SCHEMBL1351534 0.70 SIGMAR1 (0.41) RENSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL660633 0.70 REN (0.53) RENLMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885LMNA 1559/4885SIGMAR1 4561/4885

“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.