Sugi Predict

Sugi Predict / Compounds / SCHEMBL2591955

SCHEMBL2591955

SCHEMBL2591955

CCOC(=O)C(F)(F)[C@](C)(N[S+]([O-])C(C)(C)C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BACE1 P56817 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL2591960 1.00 TAAR1 (0.40) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL2591958 1.00 TAAR1 (0.40) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL12981375 0.91 TAAR1 (0.38) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL12981501 0.91 TAAR1 (0.38) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL12981497 0.91 TAAR1 (0.38) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL12981376 0.91 TAAR1 (0.38) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL18517368 0.89 TAAR1 (0.41) TAAR1LMNAL3MBTL1MAPTTSHR
SCHEMBL2592172 0.86 TAAR1 (0.37) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL17758686 0.86 TAAR1 (0.37) TAAR1LMNAL3MBTL1BACE1MAPT
SCHEMBL2592177 0.86 TAAR1 (0.37) TAAR1LMNAL3MBTL1BACE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004738-B2 Combination treatment comprising administration of 2-amino-3,5,5-trifluoro-3,4,5,6-tetrahydropyridines H. LUNDBECK A/S (DK) 2018-06-26 — — US disclosed
US-20170042895-A1 Combination Treatment Comprising Administration of 2-Amino-3,5,5-trifluoro-3,4,5,6-tetrahydropyridines H. LUNDBECK A/S (DK) 2017-02-16 — — US disclosed
US-9353084-B2 2-amino 3,5,5-trifluoro-3,4,5,6-tetrahydropyridines as BACE1 inhibitors for treatment of Alzheimer's disease H. LUNDBECK A/S (DK) 2016-05-31 — — US disclosed
US-20150232449-A1 2-Amino-3,5,5-trifluoro-3,4,5,6-tetrahydropyridines as BACE1 inhibitors for treatment of Alzheimer's disease H. LUNDBECK A/S (DK) 2015-08-20 — — US disclosed
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2014-10-30 — — US disclosed
US-8815841-B2 1,4-Oxazepines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-26 — — US disclosed
EP-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 — — EP disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 — — US disclosed
US-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-02-13 — — US disclosed
EP-2675796-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-25 — — EP disclosed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 — — EP disclosed
US-20130040936-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. 2013-02-14 — — US disclosed
WO-2012110459-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-23 — — WO disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 — — US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 — — WO 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 (7 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-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds BACE2, BACE1, PSEN2 TAAR1 857/4885LMNA 2363/4885L3MBTL1 3402/4885
US-20150232449-A1 2-Amino-3,5,5-trifluoro-3,4,5,6-tetrahydropyridines as BACE1 inhibitors for treatment of Alzheimer's disease BACE1, BACE2, APP TAAR1 1209/4885LMNA 2146/4885L3MBTL1 3684/4885
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN2 TAAR1 2404/4885LMNA 3909/4885L3MBTL1 3054/4885
US-20130040936-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN2 TAAR1 2584/4885LMNA 3819/4885L3MBTL1 3051/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 TAAR1 857/4885LMNA 2363/4885L3MBTL1 3402/4885
US-20170042895-A1 Combination Treatment Comprising Administration of 2-Amino-3,5,5-trifluoro-3,4,5,6-tetrahydropyridines BACE1, PSEN1, BACE2 TAAR1 134/4885LMNA 3842/4885L3MBTL1 4556/4885
US-10004738-B2 Combination treatment comprising administration of 2-amino-3,5,5-trifluoro-3,4,5,6-tetrahydropyridines BACE1, PSEN1, BACE2 TAAR1 134/4885LMNA 3842/4885L3MBTL1 4556/4885

“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.