SCHEMBL3344820

SCHEMBL3344820

C[C@@H](C(N)=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)N(CCN(C)C)c2ccccc2S[C@@H]1c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 6/20 0.41
CYP3A4 P08684 4/20 0.39
LMNA P02545 4/20 0.39
ABCB11 O95342 3/20 0.39
KCNH2 Q12809 3/20 0.39
CACNA1C Q13936 3/20 0.39
TSHR P16473 2/20 0.39
SLC22A1 O15245 2/20 0.39
CACNA1F O60840 2/20 0.39
ABCB1 P08183 2/20 0.39
HRH2 P25021 2/20 0.39
ADRA1A P35348 2/20 0.39
SCN1A P35498 2/20 0.39
SCN4A P35499 2/20 0.39
SCN7A Q01118 2/20 0.39
CACNA1D Q01668 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
GHSR Q92847 2/20 0.39
SCN2A Q99250 2/20 0.39

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
SCHEMBL3343962 0.91 ITGB2 (0.38) CACNA1SCYP3A4LMNAABCB11KCNH2
SCHEMBL6091592 0.91 ITGB2 (0.38) CACNA1SCYP3A4LMNAABCB11KCNH2
SCHEMBL3552094 0.91 PSEN1 (0.36) TSHRTHRBGSK3BTP53MAPT
SCHEMBL3346656 0.82 PSEN1 (0.36) LMNAGSK3BTP53MAPTPSEN1
SCHEMBL3343010 0.80 HTT (0.41) CYP3A4TSHRHTTALDH1A1THRB
SCHEMBL3344821 0.79 PSEN1 (0.47) CACNA1SCYP3A4LMNAABCB11KCNH2
SCHEMBL3346403 0.76 SLC6A9 (0.32) LMNATP53MAPT
SCHEMBL3342978 0.76 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5225360 0.75 CACNA1S (0.55) CACNA1SCYP3A4LMNAABCB11KCNH2
SCHEMBL3342699 0.74 CACNA1S (0.40) CACNA1SCYP3A4LMNAABCB11KCNH2

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 15 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
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP 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 CACNA1S 457/4885CYP3A4 1299/4885LMNA 1793/4885
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 CACNA1S 40/4885CYP3A4 988/4885LMNA 1220/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP CACNA1S 540/4885CYP3A4 1501/4885LMNA 1761/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 CACNA1S 2600/4885CYP3A4 1854/4885LMNA 3062/4885

“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.