SCHEMBL85663

SCHEMBL85663

Nc1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MAPKAPK2 P49137 1/20 0.43
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
GFER P55789 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP4K1 Q92918 1/20 0.38
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RECQL P46063 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3656969 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
SCHEMBL4396319 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
Tert-Butyl Formate SCHEMBL27601391 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3DDB1CRBN
SCHEMBL1584076 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
SCHEMBL655077 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3MAPKAPK2MAPT
Hydrochloric Acid SCHEMBL1583516 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
SCHEMBL8286227 0.84 ADRB1 (0.52) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
SCHEMBL3667484 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2MAPT
SCHEMBL532873 0.83 NPC1 (0.50) SLC6A2SLC6A4SLC6A3DDB1CRBN
SCHEMBL24648921 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2TDP1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2013151719-A2 FLUORINATED OXAZOLIDINONE DERIVATIVES SCIFLUOR LIFE SCIENCES, LLC (US) 2013-10-10 WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
WO-2006034789-A1 PROLINE DERIVATIVES MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 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 (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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 SLC6A2 4650/4885SLC6A4 4617/4885SLC6A3 4848/4885

“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.