SCHEMBL942563

SCHEMBL942563

O=C(CCCN1CCOCC1)CS(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.52
DRD2 P14416 3/20 0.50
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTR1A P08908 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CCR2 P41597 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL942107 0.81 MMP3 (0.45) MCHR1DRD2KMT2AALDH1A1MAPT
SCHEMBL27616065 0.73 DRD2 (0.67) MCHR1DRD2DRD4DRD3HTR1A
SCHEMBL5775143 0.73 DRD2 (0.67) MCHR1DRD2DRD4DRD3HTR1A
SCHEMBL943397 0.73 FPR2 (0.48) KMT2AALDH1A1MAPTHTR1AMAOA
SCHEMBL12517725 0.71 KMT2A (0.54) MCHR1DRD2KMT2AALDH1A1MAPT
SCHEMBL7019742 0.70 USP5 (0.40) MCHR1DRD2KMT2AALDH1A1KDM4E
SCHEMBL7373113 0.70 DRD2 (0.56) MCHR1DRD2DRD4DRD3CCR2
SCHEMBL941517 0.70 MMP3 (0.45) DRD2KMT2A
SCHEMBL7960163 0.69 DRD2 (0.62) MCHR1DRD2DRD4DRD3CCR2
Hydrochloric Acid SCHEMBL8055120 0.69 DRD2 (0.55) MCHR1DRD2DRD4DRD3CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MCHR1 4098/4885DRD2 4834/4885DRD4 4741/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885DRD2 4834/4885DRD4 4741/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MCHR1 4098/4885DRD2 4834/4885DRD4 4741/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MCHR1 4266/4885DRD2 4866/4885DRD4 4845/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MCHR1 2038/4885DRD2 3229/4885DRD4 3475/4885

“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.