SCHEMBL17478347

SCHEMBL17478347

CC(C)(C)OC(=O)N[C@H]1COc2cc(Br)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.46
EPHX2 P34913 1/20 0.45
MTNR1A P48039 2/20 0.45
LMNA P02545 2/20 0.40
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL17478346 1.00 MALT1 (0.46) MALT1EPHX2MTNR1ALMNABTK
SCHEMBL17478440 0.88 MALT1 (0.51) MALT1MTNR1ALMNAPOLBMAPT
SCHEMBL17478439 0.88 MALT1 (0.51) MALT1MTNR1ALMNAPOLBMAPT
SCHEMBL19003837 0.86 ESR1 (0.47) MALT1EPHX2MTNR1ALMNABTK
SCHEMBL13213549 0.86 ESR1 (0.47) MALT1EPHX2MTNR1ALMNABTK
SCHEMBL17478454 0.85 EPHX2 (0.45) MALT1EPHX2MTNR1ALMNABTK
SCHEMBL17478422 0.85 EPHX2 (0.45) MALT1EPHX2MTNR1ALMNABTK
SCHEMBL17478326 0.85 EPHX2 (0.45) MALT1EPHX2MTNR1ALMNABTK
SCHEMBL20722903 0.83 MTNR1A (0.47) MALT1MTNR1ALMNAPOLBMAPT
SCHEMBL20722669 0.83 MTNR1A (0.47) MALT1MTNR1ALMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715395-B 6-amino-5, 6, 7, 8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as TAAR modulators 豪夫迈·罗氏有限公司 2020-05-12 CN disclosed
EP-3174853-B1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-12 EP disclosed
US-9957261-B2 6-amino-5,6,7,8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2018-05-01 US disclosed
EP-3174853-A1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS F. Hoffmann-La Roche AG (CH) 2017-06-07 EP disclosed
US-20170137416-A1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-18 US disclosed
WO-2016016162-A1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-02-04 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 (1 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-20170137416-A1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES TAAR5, TAAR1, HTR1A MALT1 1194/4885EPHX2 1411/4885MTNR1A 48/4885

“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.