SCHEMBL661971

SCHEMBL661971

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
AVPR1A P37288 1/20 0.33
FPR3 P25089 1/20 0.33
HTT P42858 1/20 0.33
UTS2R Q9UKP6 2/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 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
SCHEMBL660634 0.81 REN (0.39) RENSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL660632 0.77 LMNA (0.37) RENSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL1351534 0.77 SIGMAR1 (0.41) RENSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL662617 0.76 XDH (0.35) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL661970 0.74 REN (0.56) REN
SCHEMBL660635 0.73 REN (0.39) RENSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL3038284 0.72 REN (0.40) RENKMT2ATSHRLPAR1FFAR1
SCHEMBL664907 0.69 SIGMAR1 (0.42) RENSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL13981318 0.66 SIGMAR1 (0.51) SIGMAR1ALDH1A1MEN1KMT2ATP53
SCHEMBL7347897 0.65 SIGMAR1 (0.43) SIGMAR1ALDH1A1MEN1KMT2ATP53

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 5 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
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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 1/4885SIGMAR1 4561/4885ALDH1A1 2104/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885SIGMAR1 4395/4885ALDH1A1 2078/4885

“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.