SCHEMBL941809

SCHEMBL941809

Fc1ccc(-c2ccccc2N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 1.00
HTR1A P08908 8/20 0.75
HTR6 P50406 4/20 0.75
HTR2A P28223 1/20 0.75
HTR5A P47898 1/20 0.75
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 1/20 0.59
HTR3A P46098 3/20 0.56
HTR2B P41595 2/20 0.54
ADRB1 P08588 3/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
DRD2 P14416 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR1D P28221 1/20 0.49

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
SCHEMBL4915058 0.87 HTR7 (0.77) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL30022433 0.86 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL3759275 0.86 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
Hydrochloric Acid SCHEMBL1673713 0.84 HTR7 (0.96) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL14060577 0.80 HTR7 (1.00) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL4914927 0.79 HTR7 (0.73) HTR7HTR1AHTR6HTR2AHTR5A
Hydrochloric Acid SCHEMBL7921826 0.78 HTR7 (0.97) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL15834279 0.75 ADRB1 (0.75) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL3320446 0.75 HTR7 (0.60) HTR7HTR1AHTR6HTR2B
SCHEMBL3321125 0.75 HTR7 (0.60) HTR7HTR1AHTR6HTR2ASLC6A2

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 10 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

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 HTR7 2828/4885HTR1A 3455/4885HTR6 3415/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 HTR7 2828/4885HTR1A 3455/4885HTR6 3415/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 HTR7 2828/4885HTR1A 3455/4885HTR6 3415/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 HTR7 3679/4885HTR1A 4269/4885HTR6 4043/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 HTR7 1225/4885HTR1A 745/4885HTR6 1281/4885

“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.