SCHEMBL14733559

SCHEMBL14733559

N[C@@]1(c2ccc(F)cc2F)CO[C@@H](COCc2ccccc2)C[C@H]1CO

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.58
BACE2 Q9Y5Z0 7/20 0.43
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.34
KDM1A O60341 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRM3 P20309 1/20 0.33

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
SCHEMBL19725827 0.92 BACE1 (0.51) BACE1BACE2GRM5LMNASLC6A2
SCHEMBL1935754 0.91 BACE1 (0.46) BACE1BACE2LMNASLC6A2
SCHEMBL2341422 0.91 BACE1 (0.46) BACE1BACE2LMNASLC6A2
SCHEMBL15783580 0.88 BACE1 (0.47) BACE1BACE2LMNAKDM1AMAOA
SCHEMBL19725795 0.86 BACE1 (0.59) BACE1BACE2LMNAKDM1AMAOA
SCHEMBL19731114 0.85 BACE1 (0.57) BACE1BACE2GRM5LMNA
SCHEMBL19868234 0.84 BACE1 (0.43) BACE1BACE2LMNAKDM1ASLC6A2
SCHEMBL19868130 0.84 BACE1 (0.43) BACE1BACE2LMNAKDM1ASLC6A2
SCHEMBL1935415 0.84 BACE1 (0.43) BACE1BACE2LMNAKDM1ASLC6A2
SCHEMBL15366681 0.83 BACE1 (0.55) BACE1BACE2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3223820-B1 3-METHYL-2-IMINO-HEXAHYDRO-1H-PYRANO[3,4-D]PYRIMIDIN-4-ONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-07-22 EP disclosed
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-2956458-B1 HETEROARYL-SUBSTITUTED HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2017-08-09 EP disclosed
EP-2956459-B1 SUBSTITUTED PHENYL-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2017-07-19 EP disclosed
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-9403846-B2 Carbocyclic- and heterocyclic-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-08-02 US disclosed
US-9260455-B2 Alkyl-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-02-16 US disclosed
WO-2014125394-A1 HETEROARYL-SUBSTITUTED HEXAHYDROPYRANO [3,4-d][1,3] THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-08-21 WO disclosed
US-20140228356-A1 Heteroaryl-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2014-08-14 US disclosed
US-20140228356-A1 Heteroaryl-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2014-08-14 US disclosed
WO-2014097038-A1 CARBOCYCLIC- AND HETEROCYCLIC-SUBSTITUTED HEXAHYDROPYRANO[3,4-d][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2014-06-26 WO disclosed
WO-2014045162-A1 ALKYL-SUBSTITUTED HEXAHYDROPYRANO[3,4-d] [1,3]THIAZIN-2-ANIME COMPOUNDS PFIZER INC. (US) 2014-03-27 WO disclosed
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2013-11-07 US disclosed
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2013-11-07 US disclosed
WO-2013030713-A1 HEXAHYDROPYRANO [3,4-D][1,3] THIAZIN-2-AMINE COMPOUNDS PFIZER INC. (US) 2013-03-07 WO disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 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 (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-20140228356-A1 Heteroaryl-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TBXA2R, UGT1A3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 BACE1 927/4885BACE2 636/4885GRM5 1219/4885
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TPMT, DPYD, UGT1A3 BACE1 1520/4885BACE2 1628/4885GRM5 1845/4885
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 BACE1 1/4885BACE2 4/4885GRM5 2178/4885
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885BACE2 2953/4885GRM5 1554/4885

“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.