SCHEMBL3406444

SCHEMBL3406444

NC1C(=O)N(CC2CC2)c2ccccc2OC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN9A Q15858 1/20 0.36
KMT2A Q03164 1/20 0.36
PRSS1 P07477 2/20 0.35
PLG P00747 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TRPA1 O75762 2/20 0.35
PPARG P37231 1/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
OPRL1 P41146 1/20 0.34
GRM2 Q14416 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
SCHEMBL3347335 1.00 F10 (0.41) F10LMNAALDH1A1L3MBTL1SCN9A
SCHEMBL3349518 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2ATSHR
SCHEMBL3342792 0.79 LMNA (0.45) F10LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL3342786 0.79 LMNA (0.45) F10LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL4719762 0.79 LMNA (0.45) F10LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL6207663 0.79 MAOA (0.40) F10ALDH1A1L3MBTL1KMT2APRSS1
SCHEMBL3342962 0.79 MAOA (0.40) F10ALDH1A1L3MBTL1KMT2APRSS1
SCHEMBL4908073 0.75 TSHR (0.51) LMNAALDH1A1L3MBTL1TSHR
SCHEMBL4420923 0.74 OPRL1 (0.42) SCN9ATRPA1OPRL1
SCHEMBL7471730 0.74 OPRL1 (0.42) SCN9ATRPA1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP 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
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO 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 (2 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-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 3152/4885LMNA 1220/4885ALDH1A1 1630/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP F10 2762/4885LMNA 1761/4885ALDH1A1 2328/4885

“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.