SCHEMBL6005977

SCHEMBL6005977

C=CC[C@H](C(=O)O)[C@@H](CC(C)C)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTCH1 P46531 8/20 0.72
▸ RBPJ Q06330 4/20 0.72
▸ PSEN1 P49768 1/20 0.71
▸ PSEN2 P49810 1/20 0.71
▸ APH1B Q8WW43 1/20 0.71
▸ NCSTN Q92542 1/20 0.71
▸ APH1A Q96BI3 1/20 0.71
▸ PSENEN Q9NZ42 1/20 0.71
▸ NOTCH3 Q9UM47 4/20 0.67
▸ CCKBR P32239 5/20 0.66
▸ KCNH2 Q12809 1/20 0.59
▸ HDAC3 O15379 3/20 0.56
▸ HDAC4 P56524 3/20 0.56
▸ HDAC1 Q13547 3/20 0.56
▸ HDAC7 Q8WUI4 3/20 0.56
▸ HDAC2 Q92769 3/20 0.56
▸ HDAC10 Q969S8 3/20 0.56
▸ HDAC11 Q96DB2 3/20 0.56
▸ HDAC8 Q9BY41 3/20 0.56
▸ HDAC6 Q9UBN7 3/20 0.56

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
SCHEMBL3293655 0.93 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287317 0.93 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL5839093 0.93 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287198 0.93 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287486 0.93 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL8244069 0.93 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287669 0.91 NOTCH1 (0.68) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL13325780 0.90 NOTCH1 (0.66) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3289695 0.88 NOTCH1 (0.74) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3290462 0.87 NOTCH1 (0.73) NOTCH1RBPJPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 — — US disclosed
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 — — US disclosed
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-12 — — US disclosed
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-12 — — US disclosed
US-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 — — US disclosed
US-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 — — US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 — — US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 — — US disclosed
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 — — US disclosed
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 — — US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 — — US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 — — US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 — — US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 — — US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 — — EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 — — 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 (5 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 NOTCH1 528/4885RBPJ 3834/4885PSEN1 1/4885
US-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP NOTCH1 803/4885RBPJ 4118/4885PSEN1 2/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE NOTCH1 942/4885RBPJ 1868/4885PSEN1 15/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE NOTCH1 539/4885RBPJ 2293/4885PSEN1 5/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE NOTCH1 539/4885RBPJ 2293/4885PSEN1 5/4885

“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.

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