SCHEMBL660632

SCHEMBL660632

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
REN P00797 2/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SIGMAR1 Q99720 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
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 2/20 0.33
GSTO1 P78417 1/20 0.32
CETP P11597 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31

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
SCHEMBL662364 0.81 PPARA (0.34) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL663585 0.78 ALDH1A1 (0.37) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL660635 0.77 REN (0.39) LMNARENKDM4EALDH1A1SIGMAR1
SCHEMBL661971 0.77 REN (0.40) LMNARENKDM4EALDH1A1SIGMAR1
SCHEMBL1351534 0.74 SIGMAR1 (0.41) RENALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL661970 0.74 REN (0.56) RENKCNH2
SCHEMBL660634 0.74 REN (0.39) LMNARENKDM4EALDH1A1SIGMAR1
SCHEMBL1072456 0.73 PNMT (0.30)
SCHEMBL1072358 0.70 MRGPRX4 (0.38) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL16738539 0.70 MEN1 (0.35) LMNARENALDH1A1MEN1KMT2A

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 LMNA 1559/4885REN 1/4885KDM4E 3884/4885

“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.