SCHEMBL941026

SCHEMBL941026

O=CN1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.53
▸ DRD3 P35462 3/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ DRD2 P14416 2/20 0.44
▸ CNR2 P34972 3/20 0.43
▸ RET P07949 1/20 0.43
▸ TDO2 P48775 3/20 0.43
▸ ME2 P23368 1/20 0.41
▸ ME1 P48163 1/20 0.41
▸ ME3 Q16798 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL6808620 0.92 DRD4 (0.47) DRD4DRD3HTR1AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL6812180 0.91 GPR119 (0.50) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL5238753 0.83 DRD4 (0.55) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL31589397 0.78 HTR1A (0.52) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL12911528 0.77 GPR119 (0.58) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL1742814 0.77 HRH3 (0.52) DRD4DRD3HTR1AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL942193 0.76 GPR119 (0.56) DRD4DRD3HTR1AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL6786442 0.76 GPR119 (0.56) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL941651 0.75 AKR1C3 (0.57) CNR2RETKDM4EMEN1NPC1
SCHEMBL18621601 0.75 GRIN2D (0.51) DRD4DRD3HTR1AHTR2ASLC6A4

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 17 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
CN-101602731-A Inhibitors of metalloproteinase ASTRAZENECA AB (SE) 2009-12-16 — — CN disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 — — US disclosed
CN-100526307-C Metalloprotease inhibitors ASTRAZENECA AB (SE) 2009-08-12 — — CN 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
CN-1509275-A Metalloproteinase inhibitors — 2004-06-30 — — CN disclosed
CN-1509286-A Metalloprotease inhibitors — 2004-06-30 — — CN 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

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 DRD4 4741/4885DRD3 4806/4885HTR1A 3455/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 DRD4 4741/4885DRD3 4806/4885HTR1A 3455/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 DRD4 4741/4885DRD3 4806/4885HTR1A 3455/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 DRD4 3475/4885DRD3 2798/4885HTR1A 745/4885

“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.

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