SCHEMBL7597101

SCHEMBL7597101

CN1C(=O)C(N)(C(=O)[C@H](CC2CCCC2)[C@@H](O)CCc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
CCKBR P32239 6/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
SCN9A Q15858 2/20 0.39
CCKAR P32238 1/20 0.38
OXTR P30559 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL7482918 0.85 KCNH2 (0.39) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7490309 0.84 PSEN1 (0.46) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7485500 0.83 PSEN1 (0.44) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL6385267 0.81 NOTCH1 (0.39) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7481197 0.80 NOTCH1 (0.37) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7482520 0.79 PSEN1 (0.40) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7598317 0.79 PSEN1 (0.40) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7486538 0.79 PSEN1 (0.40) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7484257 0.79 PSEN1 (0.40) KCNH2CCKBRPSEN1PSEN2APH1B
SCHEMBL7492956 0.79 PSEN1 (0.38) CCKBRPSEN1PSEN2APH1BNCSTN

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-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-02 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-20020052360-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of a beta protein production APP, APH1A, BACE1 KCNH2 3591/4885CCKBR 3886/4885PSEN1 6/4885

“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.