SCHEMBL2782732

SCHEMBL2782732

CCOC(=O)C1CN(Cl)CCC1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR4 O00206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3286457 0.83 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL23280774 0.81 MAPT (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10654584 0.81 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10296047 0.81 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13039144 0.81 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5871351 0.80 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2127522 0.80 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL18965270 0.79 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
Ethylene SCHEMBL10653813 0.79 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11568317 0.79 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2162436-A1 NOVEL CASE OF RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-03-17 EP disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
EP-2097377-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-09-09 EP disclosed
WO-2008141462-A9 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-01-08 WO disclosed
WO-2008141462-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-11-27 WO disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 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-20100063091-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 4162/4885ALDH1A1 524/4885KDM4E 3590/4885
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 MAPT 4549/4885ALDH1A1 432/4885KDM4E 1811/4885

“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.