SCHEMBL5515205

SCHEMBL5515205

CCCCC1=NC(NC(=O)[C@H](CC2CC2)[C@@H](O)CCCC)C(=O)N(CCCC)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.42
NOTCH1 P46531 4/20 0.40
RBPJ Q06330 3/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
OXTR P30559 1/20 0.38
CCKBR P32239 8/20 0.38
NOTCH3 Q9UM47 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4175024 1.00 BDKRB1 (0.42) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4175020 1.00 BDKRB1 (0.42) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4189475 0.97 BDKRB1 (0.42) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4186940 0.92 NOTCH1 (0.41) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4186937 0.92 NOTCH1 (0.41) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL5511552 0.92 NOTCH1 (0.41) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4182589 0.91 NOTCH1 (0.38) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4980551 0.91 NOTCH1 (0.38) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4179536 0.91 BDKRB1 (0.42) BDKRB1NOTCH1RBPJPSEN1PSEN2
SCHEMBL4182384 0.91 NOTCH1 (0.42) BDKRB1NOTCH1RBPJPSEN1PSEN2

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 1 patent. 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

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 BDKRB1 3171/4885NOTCH1 625/4885RBPJ 2984/4885

“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.