SCHEMBL14716650

SCHEMBL14716650

NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](COCc3ccccc3)C[C@H]2CS1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.76
BACE2 Q9Y5Z0 4/20 0.76
CTSD P07339 3/20 0.69
KCNH2 Q12809 1/20 0.63

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
SCHEMBL1934833 0.92 BACE1 (0.79) BACE1BACE2CTSD
SCHEMBL17296543 0.86 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL15783579 0.86 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL15986218 0.86 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL1935932 0.86 BACE1 (0.73) BACE1BACE2
SCHEMBL14733562 0.85 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL15630354 0.85 BACE1 (1.00) BACE1BACE2CTSDKCNH2
SCHEMBL15783577 0.83 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL15369962 0.83 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL15986147 0.83 BACE1 (1.00) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP claimed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 US claimed
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP disclosed
US-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 US disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 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 (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-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885BACE2 2953/4885CTSD 2408/4885

“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.