SCHEMBL14716764

SCHEMBL14716764

C=CC[C@@H](COCc1ccccc1)OCC(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
TACR1 P25103 2/20 0.36
SLC1A1 P43005 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1934828 1.00 HTT (0.41) HTTTDP1CA1CA2CA7
SCHEMBL1934826 1.00 HTT (0.41) HTTTDP1CA1CA2CA7
SCHEMBL24025165 0.92 CA1 (0.44) HTTTDP1CA1CA2CA7
SCHEMBL19725793 0.88 TDP1 (0.40) HTTTDP1CA1CA2CA7
SCHEMBL15366759 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15366764 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15939262 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15366761 0.85 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL19868233 0.83 CA1 (0.42) HTTTDP1CA1CA2CA7
SCHEMBL3301617 0.83 HTT (0.37) HTTTDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP 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
EP-2852597-B1 HETEROCYCLIC SUBSTITUTED HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS AS INHIBITORS OF APP, BACE1 AND BACE 2. PFIZER (US) 2016-06-08 EP disclosed
US-9260455-B2 Alkyl-substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-02-16 US disclosed
US-9233981-B1 Substituted phenyl hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-01-12 US disclosed
US-20160002264-A1 Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2016-01-07 US disclosed
US-20150376207-A1 Substituted Phenyl Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-12-31 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-8962616-B2 Heterocyclic substituted hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-02-24 US disclosed
US-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 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
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
WO-2014045162-A1 ALKYL-SUBSTITUTED HEXAHYDROPYRANO[3,4-d] [1,3]THIAZIN-2-ANIME COMPOUNDS PFIZER INC. (US) 2014-03-27 WO disclosed
WO-2013164730-A1 HETEROCYCLIC SUBSTITUTED HEXAHYDROPYRANO [3,4-D] [1,3] THIAZIN- 2 -AMINE COMPOUNDS AS INHIBITORS OF APP, BACE1 AND BACE 2. PFIZER INC. (US) 2013-11-07 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-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 (6 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 HTT 157/4885TDP1 395/4885CA1 2701/4885
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 HTT 157/4885TDP1 395/4885CA1 2701/4885
US-20160002264-A1 Carbocyclic- And Heterocyclic-Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds CYP4B1, HTR3C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTT 1504/4885TDP1 1977/4885CA1 1354/4885
US-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TPMT, DPYD, UGT1A3 HTT 122/4885TDP1 419/4885CA1 3038/4885
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR HTT 439/4885TDP1 532/4885CA1 3438/4885
US-20150376207-A1 Substituted Phenyl Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TH, QDPR, TBXA2R HTT 163/4885TDP1 274/4885CA1 3147/4885

“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.