SCHEMBL1100289

SCHEMBL1100289

O=C1NC(=O)[C@@H]([C@H]2CCCN2)N1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
BACE1 P56817 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1099564 1.00 TSHR (0.34) TSHRMBTD1L3MBTL3BACE1TDP1
SCHEMBL1099591 1.00 TSHR (0.34) TSHRMBTD1L3MBTL3BACE1TDP1
Trifluoroacetic Acid SCHEMBL1100653 0.86 MBTD1 (0.31) MBTD1L3MBTL3
SCHEMBL11671872 0.78 GRIN1 (0.35) TSHRMBTD1L3MBTL3
SCHEMBL9402140 0.71 MAPT (0.41) TSHRBACE1TDP1
SCHEMBL14354358 0.71 TSHR (0.52) TSHRBACE1TDP1
SCHEMBL7539674 0.70 TSHR (0.42) TSHRBACE1TDP1
SCHEMBL16640292 0.69 MAPT (0.44) TSHRBACE1TDP1
SCHEMBL7061475 0.69 MAPT (0.44) TSHRBACE1TDP1
SCHEMBL9402183 0.69 MAPT (0.44) TSHRBACE1TDP1

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-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370537-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074751-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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 TSHR 2145/4885MBTD1 2248/4885L3MBTL3 3489/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 TSHR 2145/4885MBTD1 2248/4885L3MBTL3 3489/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 TSHR 2710/4885MBTD1 2497/4885L3MBTL3 3205/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TSHR 2971/4885MBTD1 1202/4885L3MBTL3 4143/4885

“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.