SCHEMBL3343427

SCHEMBL3343427

CN1C(=O)[C][C@H](c2cccc(Cl)c2)Sc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.43
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35
SLC6A3 Q01959 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MDM2 Q00987 3/20 0.34
FFAR1 O14842 1/20 0.34
MAOA P21397 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
SCHEMBL3346744 0.84 OPRK1 (0.40) GSK3BMAPTTP53RAB9AGAA
SCHEMBL5225757 0.82 ITGB2 (0.50) GSK3BMAPTTP53THRBRAB9A
SCHEMBL9830752 0.64 MAOA (0.44) GSK3BTP53RAB9AALDH1A1TSHR
SCHEMBL10808729 0.63 GSK3B (0.41) GSK3BMAPTTP53RAB9AALDH1A1
SCHEMBL7289212 0.63 MAOA (0.47) GSK3BMAPTTP53RAB9AALDH1A1
SCHEMBL1451143 0.62 MAOA (0.50) MAPTTP53RAB9AALDH1A1HPGD
SCHEMBL10803547 0.61 MAOA (0.42) GSK3BRAB9AALDH1A1SMN1; SMN2MAOA
SCHEMBL10675503 0.61 MAOA (0.48) GSK3BMAPTTP53RAB9AALDH1A1
SCHEMBL10352937 0.61 MAOA (0.44) GSK3BMAPTTP53RAB9AALDH1A1
SCHEMBL27686338 0.61 CHRNA7 (0.47) MAPTALDH1A1HPGDTSHRACHE

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
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-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 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
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 GSK3B 428/4885MAPT 24/4885TP53 4478/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP GSK3B 26/4885MAPT 24/4885TP53 4810/4885

“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.