SCHEMBL5527631

SCHEMBL5527631

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)N[C@H]1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2N(Cc2cccnc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
NOTCH1 P46531 4/20 0.42
NOTCH3 Q9UM47 3/20 0.42
KCNH2 Q12809 1/20 0.42
RBPJ Q06330 1/20 0.42
PSEN1 P49768 8/20 0.41
PSEN2 P49810 8/20 0.41
APH1B Q8WW43 8/20 0.41
NCSTN Q92542 8/20 0.41
APH1A Q96BI3 8/20 0.41
PSENEN Q9NZ42 8/20 0.41
CCKBR P32239 3/20 0.41
CCKAR P32238 2/20 0.41
CALCRL Q16602 1/20 0.41
OXTR P30559 1/20 0.41

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
SCHEMBL4193934 1.00 SCN9A (0.43) SCN9ANOTCH1NOTCH3KCNH2RBPJ
SCHEMBL4193932 1.00 SCN9A (0.43) SCN9ANOTCH1NOTCH3KCNH2RBPJ
SCHEMBL4177786 0.94 SCN9A (0.45) SCN9ANOTCH1NOTCH3KCNH2PSEN1
SCHEMBL4177788 0.94 SCN9A (0.45) SCN9ANOTCH1NOTCH3KCNH2PSEN1
SCHEMBL4196035 0.93 NOTCH1 (0.47) NOTCH1NOTCH3KCNH2RBPJPSEN1
SCHEMBL4196037 0.93 NOTCH1 (0.47) NOTCH1NOTCH3KCNH2RBPJPSEN1
SCHEMBL4180338 0.89 NOTCH1 (0.42) NOTCH1NOTCH3KCNH2RBPJPSEN1
SCHEMBL4188779 0.89 NOTCH1 (0.44) NOTCH1NOTCH3KCNH2RBPJPSEN1
SCHEMBL4188776 0.89 NOTCH1 (0.44) NOTCH1NOTCH3KCNH2RBPJPSEN1
SCHEMBL4178279 0.89 CCKBR (0.43) SCN9ACCKBRCCKAR

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 SCN9A 44/4885NOTCH1 625/4885NOTCH3 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.