SCHEMBL15768794

SCHEMBL15768794

C[C@H]1C[C@H]2[C@H](COCc3ccccc3)ON[C@@]2(c2cc(Br)c(F)cc2F)CO1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
BACE2 Q9Y5Z0 1/20 0.35
KDM1A O60341 2/20 0.31

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
SCHEMBL18687653 0.76 ADORA2A (0.30)
SCHEMBL15769076 0.76 BACE1 (0.51) BACE1BACE2
SCHEMBL15769264 0.74 BACE1 (0.41) BACE1BACE2KDM1A
SCHEMBL15799730 0.74 BACE1 (0.41) BACE1BACE2KDM1A
SCHEMBL15956968 0.74 BACE1 (0.53) BACE1BACE2
SCHEMBL15938729 0.74 BACE1 (0.53) BACE1BACE2
SCHEMBL15366624 0.73 BACE1 (0.54) BACE1BACE2
SCHEMBL15768974 0.70 BACE1 (0.36) BACE1BACE2KDM1A
SCHEMBL15769206 0.69 BACE1 (0.39) BACE1BACE2
SCHEMBL15783639 0.69 BACE1 (0.40) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2931731-A1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS AS INHIBITORS OF BACE1 Pfizer Inc. (US) 2015-10-21 EP 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-9045498-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-06-02 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
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 (3 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 2304/4885BACE2 2680/4885KDM1A 3054/4885
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 2304/4885BACE2 2680/4885KDM1A 3054/4885
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 2304/4885BACE2 2680/4885KDM1A 3054/4885

“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.