SCHEMBL3349371

SCHEMBL3349371

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)N(CCN2CCOCC2)c2ccccc2O[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.42
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
MEN1 O00255 1/20 0.37
TDP2 O95551 1/20 0.37
CASP6 P55212 1/20 0.37
UBE2I P63279 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLG P00747 1/20 0.34

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
SCHEMBL5225483 1.00 F10 (0.42) F10F2PRSS1MEN1TDP2
Hydrochloric Acid SCHEMBL3343653 0.99 F10 (0.41) F10F2PRSS1MEN1TDP2
SCHEMBL3344935 0.88 F10 (0.37) F10F2PRSS1MEN1KMT2A
Hydrochloric Acid SCHEMBL3555507 0.87 F10 (0.36) F10F2PRSS1MEN1KMT2A
SCHEMBL3341068 0.87 MME (0.38) F10F2PRSS1MEN1KMT2A
SCHEMBL3342704 0.86 PSEN1 (0.39) F10F2PRSS1MEN1KMT2A
SCHEMBL3343364 0.85 MEN1 (0.35) F10F2PRSS1MEN1KMT2A
SCHEMBL3343473 0.85 MEN1 (0.35) F10F2PRSS1MEN1KMT2A
SCHEMBL3349431 0.85 MEN1 (0.34) F10F2PRSS1MEN1KMT2A
SCHEMBL3342670 0.83 XIAP (0.35) F10F2PRSS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
JP-2006503862-A 2006-02-02 JP claimed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO claimed
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B F10 2639/4885F2 2219/4885PRSS1 107/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 F10 3152/4885F2 2540/4885PRSS1 519/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP F10 2762/4885F2 2109/4885PRSS1 114/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 F10 1601/4885F2 861/4885PRSS1 1679/4885

“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.