SCHEMBL15769148

SCHEMBL15769148

O=C(NC1=N[C@@]2(c3cc(Br)ccc3F)CO[C@@H](CO)C[C@H]2CS1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54
KCNH2 Q12809 4/20 0.46

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
SCHEMBL19868243 1.00 BACE1 (0.54) BACE1KCNH2
SCHEMBL15783616 0.93 BACE1 (0.52) BACE1KCNH2
SCHEMBL3300799 0.91 BACE1 (0.53) BACE1KCNH2
SCHEMBL15799799 0.90 BACE1 (0.51) BACE1KCNH2
SCHEMBL15783586 0.90 BACE1 (0.51) BACE1KCNH2
SCHEMBL17296553 0.90 BACE1 (0.51) BACE1KCNH2
SCHEMBL15783603 0.89 BACE1 (0.49) BACE1KCNH2
SCHEMBL19868127 0.89 BACE1 (0.49) BACE1KCNH2
SCHEMBL15783600 0.88 BACE1 (0.53) BACE1KCNH2
SCHEMBL19868240 0.88 BACE1 (0.53) BACE1KCNH2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS LILLY CO ELI (US) 2021-11-18 US disclosed
EP-3497105-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2019-06-19 EP disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
US-20150231144-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-08-20 US disclosed
US-20150231144-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-08-20 US disclosed
US-20150231144-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-08-20 US disclosed
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER (US) 2014-10-30 US disclosed
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER (US) 2014-10-30 US disclosed
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER (US) 2014-10-30 US disclosed
US-8822456-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2014-09-02 US disclosed
US-8822456-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2014-09-02 US disclosed
US-8822456-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2014-09-02 US disclosed
WO-2014091352-A1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS AS INHIBITORS OF BACE1 PFIZER INC. (US) 2014-06-19 WO disclosed
US-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-12 US disclosed
US-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-12 US disclosed
US-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-12 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 (4 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-20140163015-A1 HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS TBXA2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3D BACE1 2304/4885KCNH2 445/4885
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885KCNH2 3160/4885
US-20140323474-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TBXA2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3D BACE1 2304/4885KCNH2 445/4885
US-20150231144-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TBXA2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR3D BACE1 2304/4885KCNH2 445/4885

“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.