SCHEMBL3209561

SCHEMBL3209561

Nc1cccc(OCCN2CCCCC2)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.79
BACE1 P56817 1/20 0.67
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.57
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
HRH3 Q9Y5N1 3/20 0.56

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
SCHEMBL3216190 1.00 LTA4H (0.79) LTA4HBACE1KDM4EALDH1A1SMN1; SMN2
SCHEMBL264157 0.98 LTA4H (0.81) LTA4HBACE1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2970873 0.92 KDM4E (0.69) LTA4HBACE1KDM4EALDH1A1L3MBTL1
SCHEMBL17372602 0.91 LTA4H (0.70) LTA4HKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3206091 0.86 KMT2A (0.68) LTA4HBACE1KDM4EALDH1A1SMN1; SMN2
SCHEMBL521854 0.85 LTA4H (0.63) LTA4HKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL14320388 0.85 LTA4H (0.63) LTA4HBACE1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14451861 0.84 LTA4H (0.70) LTA4HBACE1PTGS1PTGS2HRH3
SCHEMBL3209535 0.82 KDM4E (0.62) LTA4HKDM4ESMN1; SMN2HTTLMNA
SCHEMBL4286569 0.82 KDM4E (0.72) LTA4HBACE1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289893-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2011-03-02 EP disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
EP-2112151-A2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2009-10-28 EP disclosed
EP-1838710-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2009-07-01 EP disclosed
US-20070054888-A1 NOVEL SUBSTITUTED DIAMINE DERIVATIVES USEFUL AS MOTILIN AGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-03-08 US disclosed
US-7166601-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-01-23 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-6967199-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-11-22 US disclosed
US-20050148584-A1 Novel substituted diamine derivatives useful as motilin antagonists JOHNSON SIGMOND G (US) 2005-07-07 US disclosed
US-20040097502-A1 Pyrazoles as tgf inhibitors GELLIBERT FRANCOISE JEANNE (FR) 2004-05-20 US disclosed
EP-1363904-A1 PYRAZOLES AS TGF INHIBITORS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder JOHNSON SIGMONG G (US) 2003-10-30 US disclosed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
US-6511980-B2 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-28 US disclosed
WO-2002062787-A1 PYRAZOLES AS TGF INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 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 (7 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 LTA4H 2174/4885BACE1 2828/4885KDM4E 3035/4885
US-20070054888-A1 NOVEL SUBSTITUTED DIAMINE DERIVATIVES USEFUL AS MOTILIN AGONISTS MLNR, NPY4R, GIPR LTA4H 1811/4885BACE1 4800/4885KDM4E 1789/4885
US-20040097502-A1 Pyrazoles as tgf inhibitors TGFBR1, TGFBR2, TGFB1 LTA4H 2772/4885BACE1 202/4885KDM4E 3508/4885
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder MLNR, GIPR, NPY1R LTA4H 2264/4885BACE1 4794/4885KDM4E 2241/4885
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder MLNR, GIPR, NPY1R LTA4H 2663/4885BACE1 4819/4885KDM4E 1778/4885
US-20050148584-A1 Novel substituted diamine derivatives useful as motilin antagonists MLNR, NPY4R, GIPR LTA4H 2168/4885BACE1 4803/4885KDM4E 1623/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 LTA4H 1982/4885BACE1 2547/4885KDM4E 2470/4885

“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.