SCHEMBL2398666

SCHEMBL2398666

CC(C)(c1ccccn1)[C@@H](N)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
VDR P11473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GBA1 P04062 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2396389 1.00 NFE2L2 (0.38) NFE2L2IDO1TDO2VDRKDM4E
SCHEMBL2395646 1.00 NFE2L2 (0.38) NFE2L2IDO1TDO2VDRKDM4E
Fumaric Acid SCHEMBL2394423 0.89 ALDH1A1 (0.39) NFE2L2KDM4EGBA1KMT2AALDH1A1
Fumaric Acid SCHEMBL2393041 0.89 ALDH1A1 (0.39) NFE2L2KDM4EGBA1KMT2AALDH1A1
Fumaric Acid SCHEMBL2393031 0.89 ALDH1A1 (0.39) NFE2L2KDM4EGBA1KMT2AALDH1A1
Fumaric Acid SCHEMBL2394431 0.89 ALDH1A1 (0.39) NFE2L2KDM4EGBA1KMT2AALDH1A1
Fumaric Acid SCHEMBL2392541 0.89 ALDH1A1 (0.39) NFE2L2KDM4EGBA1KMT2AALDH1A1
Fumaric Acid SCHEMBL2392534 0.89 ALDH1A1 (0.39) NFE2L2KDM4EGBA1KMT2AALDH1A1
SCHEMBL2396116 0.83 GRIN2D (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2394588 0.83 GRIN2D (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115913-A1 Ethanamine Compounds and Methods of Using the Same BALESTRA MICHAEL (US) 2012-05-10 US claimed
EP-2391606-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION AstraZeneca AB (SE) 2011-12-07 EP claimed
WO-2010074647-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION ASTRAZENECA AB (SE) 2010-07-01 WO claimed
EP-2610246-A1 Ethanamine compounds and methods of using the same AstraZeneca AB (SE) 2013-07-03 EP disclosed
EP-2610246-A1 Ethanamine compounds and methods of using the same AstraZeneca AB (SE) 2013-07-03 EP disclosed
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME ASTRAZENECA AB (SE) 2013-05-30 US disclosed
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME ASTRAZENECA AB (SE) 2013-05-30 US disclosed
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME ASTRAZENECA AB (SE) 2013-05-30 US disclosed
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same ASTRAZENECA AB (SE) 2012-11-01 US disclosed
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same ASTRAZENECA AB (SE) 2012-11-01 US disclosed
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same ASTRAZENECA AB (SE) 2012-11-01 US disclosed
EP-2391606-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION AstraZeneca AB (SE) 2011-12-07 EP disclosed
US-8013165-B2 Ethanamine compounds and methods of using the same 545 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-8013165-B2 Ethanamine compounds and methods of using the same 545 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-8013165-B2 Ethanamine compounds and methods of using the same 545 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 ASTRAZENECA AB (SE) 2010-07-15 US disclosed
WO-2010074647-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION ASTRAZENECA AB (SE) 2010-07-01 WO disclosed
WO-2010074647-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION ASTRAZENECA AB (SE) 2010-07-01 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 (4 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-20120115913-A1 Ethanamine Compounds and Methods of Using the Same PNMT, HTR5A, TPH2 NFE2L2 1156/4885IDO1 202/4885TDO2 727/4885
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same PNMT, TPH1, TPH2 NFE2L2 1557/4885IDO1 225/4885TDO2 1091/4885
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME TPH1, TPH2, PNMT NFE2L2 1431/4885IDO1 282/4885TDO2 809/4885
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 HTR5A, PNMT, GRIK5 NFE2L2 1545/4885IDO1 528/4885TDO2 1362/4885

“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.