SCHEMBL3346744

SCHEMBL3346744

CN1C(=O)[C][C@H](c2ccccc2)Sc2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.40
PDE4D Q08499 4/20 0.40
LMNA P02545 4/20 0.39
PDE3A Q14432 1/20 0.39
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
CACNA1D Q01668 2/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
AKR1C3 P42330 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL3343427 0.84 GSK3B (0.43) MAPTSMN1; SMN2SLC6A3TP53RAB9A
SCHEMBL5225757 0.69 ITGB2 (0.50) OPRK1LMNAPDE3ACACNA1FALB
SCHEMBL7320987 0.65 MEN1 (0.38) MAPTMEN1KMT2ATP53HTT
SCHEMBL23959122 0.64 OPRK1 (0.43) OPRK1PDE4DLMNAPDE3AKMT2A
SCHEMBL10808149 0.64 ITGB2 (0.55) OPRK1LMNACACNA1FALBCACNA1D
SCHEMBL628328 0.64 MAOA (0.68) OPRK1LMNACACNA1FALBCACNA1D
SCHEMBL10509753 0.62 ALOX15 (0.50) LMNAMAPTMEN1KMT2ATP53
SCHEMBL12429324 0.62 OPRK1 (0.59) OPRK1PDE4DLMNAPDE3ACACNA1F
SCHEMBL10534782 0.62 HPGD (0.49) LMNAMAPTSMN1; SMN2TP53HTT
SCHEMBL30767224 0.62 GRIA1 (0.38) OPRK1LMNACACNA1FALBCACNA1D

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 OPRK1 920/4885PDE4D 931/4885LMNA 1220/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP OPRK1 3189/4885PDE4D 461/4885LMNA 1761/4885

“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.