SCHEMBL3344742

SCHEMBL3344742

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)NCCS[C@@H]1c1cccc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.32
PKM P14618 1/20 0.31
PSEN1 P49768 4/20 0.31
PSEN2 P49810 4/20 0.31
APH1B Q8WW43 4/20 0.31
NCSTN Q92542 4/20 0.31
APH1A Q96BI3 4/20 0.31
PSENEN Q9NZ42 4/20 0.31

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
SCHEMBL3342680 0.87 MAP2K1 (0.33) MC4RPSEN1PSEN2APH1BNCSTN
SCHEMBL3342647 0.80 MAP2K1 (0.32)
SCHEMBL3345219 0.79 GPR88 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3345096 0.77 OPRM1 (0.34) PKMPSEN1PSEN2APH1BNCSTN
SCHEMBL4845023 0.75 SMYD3 (0.33) MC4RPSEN1PSEN2APH1BNCSTN
SCHEMBL4845348 0.75 SMYD3 (0.33) MC4RPSEN1PSEN2APH1BNCSTN
SCHEMBL3344738 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3348872 0.72 KDM4E (0.37) PKM
SCHEMBL4840477 0.72 SMYD3 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4834027 0.72 SMYD3 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A

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 12 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
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US 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
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 MC4R 4832/4885PKM 2975/4885PSEN1 6/4885
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 MC4R 3070/4885PKM 2375/4885PSEN1 3/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MC4R 4836/4885PKM 2595/4885PSEN1 6/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MC4R 1447/4885PKM 4106/4885PSEN1 157/4885

“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.