SCHEMBL4986720

SCHEMBL4986720

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)NC1N=C(CC(C)(C)C)c2ccccc2N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 7/20 0.47
RBPJ Q06330 2/20 0.47
NOTCH3 Q9UM47 5/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43

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
SCHEMBL4186926 1.00 NOTCH1 (0.47) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4186929 1.00 NOTCH1 (0.47) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL5002451 1.00 NOTCH1 (0.47) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL5511552 0.92 NOTCH1 (0.41) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4186937 0.92 NOTCH1 (0.41) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4186940 0.92 NOTCH1 (0.41) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4189595 0.89 NOTCH1 (0.47) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4189592 0.89 NOTCH1 (0.47) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4186996 0.89 NOTCH1 (0.48) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL4187000 0.89 NOTCH1 (0.48) NOTCH1RBPJNOTCH3PSEN1PSEN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US claimed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 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 (1 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A NOTCH1 625/4885RBPJ 2984/4885NOTCH3 1667/4885

“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.