SCHEMBL8426469

SCHEMBL8426469

CCNC(=O)C[C@H](CCC1CCCC1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.34
LTA4H P09960 1/20 0.34
BMP1 P13497 5/20 0.34
MMP2 P08253 2/20 0.34
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL8424734 0.94 ALDH1A1 (0.35) ALDH1A1MAPK1METAP2
SCHEMBL7371375 0.79 TSHR (0.41) HPGDEPHX1MMP2TSHRMMP1
SCHEMBL6937033 0.79 METAP1 (0.43) METAP2METAP1HPGDEPHX1BMP1
SCHEMBL5197131 0.78 CA1 (0.48) ALDH1A1METAP2METAP1HPGDEPHX1
SCHEMBL8424725 0.77 CA1 (0.42) ALDH1A1MAPK1TSHR
SCHEMBL7378250 0.77 CA1 (0.46) ALDH1A1METAP2HPGDEPHX1MMP2
SCHEMBL7370650 0.77 TDP1 (0.40) HPGDEPHX1MMP2TSHRMMP1
SCHEMBL14348289 0.75 METAP2 (0.38) ALDH1A1METAP2METAP1TSHRBCHE
SCHEMBL13359716 0.75 METAP2 (0.38) ALDH1A1METAP2METAP1TSHRBCHE
SCHEMBL8426506 0.74 CA2 (0.58) MAPK1

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-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 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-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 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 (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-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 ALDH1A1 1592/4885MAPK1 559/4885METAP2 3322/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE ALDH1A1 1335/4885MAPK1 2198/4885METAP2 3314/4885

“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.