SCHEMBL3342998

SCHEMBL3342998

CN(CCO)C(=O)[C@H]1O[C@@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
EPHX1 P07099 4/20 0.47
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
CAPN1 P07384 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
SCN1A P35498 1/20 0.34
HIF1A Q16665 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 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
SCHEMBL3343000 1.00 TSHR (0.49) TSHREPHX1KMT2AMEN1CYP2C19
SCHEMBL3661053 0.80 EPHX1 (0.56) TSHREPHX1KMT2AMEN1CYP2C19
SCHEMBL9364118 0.79 EPHX1 (0.53) TSHREPHX1KMT2AMEN1CYP2C19
SCHEMBL6836966 0.79 EPHX1 (0.53) TSHREPHX1KMT2AMEN1CYP2C19
SCHEMBL1692315 0.78 MEN1 (0.50) TSHREPHX1KMT2AMEN1L3MBTL1
SCHEMBL15308835 0.78 MEN1 (0.50) TSHREPHX1KMT2AMEN1L3MBTL1
SCHEMBL15307542 0.78 MEN1 (0.50) TSHREPHX1KMT2AMEN1L3MBTL1
SCHEMBL3344071 0.77 AOC3 (0.46) TSHREPHX1KMT2AMEN1CYP2C19
SCHEMBL3344077 0.77 AOC3 (0.46) TSHREPHX1KMT2AMEN1CYP2C19
SCHEMBL14260866 0.74 TSHR (0.44) TSHREPHX1KMT2AMEN1CYP2C19

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 8 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
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
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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 (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 TSHR 4728/4885EPHX1 1669/4885KMT2A 4442/4885
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 TSHR 4423/4885EPHX1 905/4885KMT2A 2922/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TSHR 4717/4885EPHX1 1674/4885KMT2A 4483/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TSHR 3858/4885EPHX1 1476/4885KMT2A 1685/4885

“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.