SCHEMBL17478477

SCHEMBL17478477

CCOC(=O)c1nn(CC)c(OCC(F)F)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.36
PDE4B Q07343 6/20 0.36
PDE4C Q08493 6/20 0.36
PDE4D Q08499 6/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
LMNA P02545 1/20 0.33
ELANE P08246 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL17478435 0.85 NPC1 (0.36) ALDH1A1NPC1LMNAKDM4E
SCHEMBL1740722 0.72 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL24552650 0.71 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL17478480 0.70 KMT2A (0.42) KMT2AALDH1A1MAPTPOLBRXFP1
SCHEMBL19618980 0.69 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL19618984 0.68 POLB (0.40) PDE4DKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL22900713 0.67 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL32663296 0.66 SMN1; SMN2 (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4158664 0.65 MAPT (0.45) KMT2AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL20477328 0.65 CYP19A1 (0.55) ALDH1A1MAPTSMN1; SMN2MAPK1POLB

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 PDE4A 959/4885PDE4B 1021/4885PDE4C 1296/4885

“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.