Sugi Predict

Sugi Predict / Compounds / SCHEMBL9913096

SCHEMBL9913096

SCHEMBL9913096

NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3OC(F)(F)F)COCC[C@H]2CS1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.69
▸ KCNH2 Q12809 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ BACE2 Q9Y5Z0 2/20 0.35
▸ CTSD P07339 1/20 0.35

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
SCHEMBL8031555 0.86 BACE1 (0.49) BACE1KCNH2BACE2
SCHEMBL2619971 0.86 BACE1 (0.49) BACE1KCNH2BACE2
SCHEMBL7924424 0.85 BACE1 (0.66) BACE1KCNH2CYP2D6BACE2
SCHEMBL12391069 0.83 BACE1 (0.58) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL3302831 0.82 BACE1 (1.00) BACE1KCNH2CYP2D6
SCHEMBL3302827 0.82 BACE1 (1.00) BACE1KCNH2CYP2D6
SCHEMBL9913101 0.82 BACE1 (0.46) BACE1KCNH2CYP2D6
SCHEMBL7923706 0.82 BACE1 (0.46) BACE1KCNH2CYP2D6
SCHEMBL3305529 0.76 BACE1 (0.65) BACE1KCNH2CYP2D6BACE2
SCHEMBL9913161 0.76 BACE1 (0.65) BACE1KCNH2CYP2D6BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 — — EP claimed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 — — US claimed
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 — — EP disclosed
US-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 — — US disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 — — US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 — — US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 — — US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 — — US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 — — 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885KCNH2 1984/4885CYP2D6 1117/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885KCNH2 2173/4885CYP2D6 814/4885
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR BACE1 3093/4885KCNH2 294/4885CYP2D6 4/4885

“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.