SCHEMBL662533

SCHEMBL662533

N#CCC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.53
SLC6A2 P23975 8/20 0.53
SLC6A3 Q01959 5/20 0.52
KCNH2 Q12809 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 3/20 0.52
REN P00797 8/20 0.45
GHSR Q92847 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL5072329 0.83 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL8171105 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL663112 0.80 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL5072308 0.77 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL65337 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL79378 0.77 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL65338 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL2284094 0.72 REN (0.54) KCNH2CYP3A4REN
SCHEMBL66535 0.71 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL662733 0.70 REN (0.53) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6

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 7 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
US-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 US disclosed
US-20090029964-A1 Novel carbapenem compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-01-29 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 (4 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 SLC6A4 1352/4885SLC6A2 374/4885SLC6A3 782/4885
US-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 SLC6A4 413/4885SLC6A2 73/4885SLC6A3 171/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SLC6A4 2577/4885SLC6A2 912/4885SLC6A3 1838/4885
US-20090029964-A1 Novel carbapenem compound MGAM2, OXA1L, RIOX2 SLC6A4 4874/4885SLC6A2 4299/4885SLC6A3 4606/4885

“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.