SCHEMBL940345

SCHEMBL940345

CC(=O)Nc1cccc(OC2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HRH1 P35367 2/20 0.50
KCNH2 Q12809 1/20 0.48
GAA P10253 1/20 0.48
RORC P51449 1/20 0.48
GSK3B P49841 1/20 0.48
DYRK1A Q13627 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SCN9A Q15858 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC9A3 P48764 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46

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
SCHEMBL3117912 0.84 ALDH1A1 (0.51) ALDH1A1GAARORCRAB9ANPC1
SCHEMBL943416 0.83 KCNH2 (0.52) HRH1KCNH2RORCSMN1; SMN2MEN1
SCHEMBL4149757 0.83 CYP2D6 (0.56) ALDH1A1GAAGSK3BDYRK1ARAB9A
SCHEMBL12167864 0.82 HRH1 (0.54) ALDH1A1HRH1GSK3BDYRK1ARAB9A
SCHEMBL19538857 0.81 RAB9A (0.54) ALDH1A1GAARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1808503 0.81 HRH1 (0.53) HRH1GSK3BDYRK1ASMN1; SMN2CYP2D6
SCHEMBL4508991 0.79 F2 (0.51) ALDH1A1HRH1KCNH2GSK3BDYRK1A
SCHEMBL10259173 0.79 GSK3B (0.51) HRH1KCNH2GSK3BDYRK1ARAB9A
Hydrochloric Acid SCHEMBL5729351 0.78 GSK3B (0.51) HRH1KCNH2GSK3BDYRK1ARAB9A
SCHEMBL22446322 0.78 GAA (0.51) ALDH1A1GAARAB9ASCN9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
EP-0635505-B1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885HRH1 2214/4885KCNH2 2535/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885HRH1 2214/4885KCNH2 2535/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885HRH1 3932/4885KCNH2 3812/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885HRH1 1395/4885KCNH2 1640/4885

“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.