SCHEMBL14716596

SCHEMBL14716596

Fc1ccc([C@]23CO[C@@H](COCc4ccccc4)C[C@H]2CON3)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.61
BACE2 Q9Y5Z0 7/20 0.44
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.34
CTSD P07339 2/20 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
SCHEMBL1935410 0.91 BACE1 (0.50) BACE1BACE2LMNA
SCHEMBL15769076 0.89 BACE1 (0.51) BACE1BACE2LMNA
SCHEMBL19725813 0.85 BACE1 (0.63) BACE1BACE2LMNAGRM5CTSD
SCHEMBL1935428 0.85 BACE1 (0.47) BACE1BACE2LMNA
SCHEMBL1934384 0.85 BACE1 (0.47) BACE1BACE2LMNA
SCHEMBL18133256 0.84 BACE1 (0.44) BACE1BACE2LMNA
SCHEMBL17794224 0.82 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL15366624 0.82 BACE1 (0.54) BACE1BACE2LMNAGRM5CTSD
SCHEMBL15938729 0.81 BACE1 (0.53) BACE1BACE2LMNAGRM5
SCHEMBL15956968 0.81 BACE1 (0.53) BACE1BACE2LMNAGRM5

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 71 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-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
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
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP 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
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-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 (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-20130296308-A1 Heterocyclic Substituted Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TPMT, DPYD, UGT1A3 BACE1 1520/4885BACE2 1628/4885LMNA 2758/4885
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 BACE1 1/4885BACE2 4/4885LMNA 479/4885
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885BACE2 2953/4885LMNA 3515/4885

“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.