SCHEMBL2395871

SCHEMBL2395871

CC(C)(c1ccccn1)[C@H](N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNA5 P22460 1/20 0.38
CHRM2 P08172 2/20 0.38
KDM4E B2RXH2 1/20 0.37
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
PGR P06401 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
SCHEMBL2396116 1.00 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2394588 1.00 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL2396348 0.98 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL2392959 0.88 LMNA (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL2398630 0.88 LMNA (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL2397990 0.88 LMNA (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL2392951 0.88 LMNA (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL2397984 0.88 LMNA (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fumaric Acid SCHEMBL2398624 0.88 LMNA (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2395646 0.83 NFE2L2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391606-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION AstraZeneca AB (SE) 2011-12-07 EP claimed
US-8013165-B2 Ethanamine compounds and methods of using the same 545 ASTRAZENECA AB (SE) 2011-09-06 US claimed
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 ASTRAZENECA AB (SE) 2010-07-15 US claimed
WO-2010074647-A1 ETHANAMINE COMPOUNDS AND THEIR USE FOR TREATING DEPRESSION ASTRAZENECA AB (SE) 2010-07-01 WO claimed
US-9035065-B2 Ethanamine compounds and methods of using the same ASTRAZENECA AB (SE) 2015-05-19 US disclosed
US-9035065-B2 Ethanamine compounds and methods of using the same ASTRAZENECA AB (SE) 2015-05-19 US disclosed
US-9035065-B2 Ethanamine compounds and methods of using the same ASTRAZENECA AB (SE) 2015-05-19 US disclosed
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-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 (2 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-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME TPH1, TPH2, PNMT GRIN2D 278/4885GRIN3B 90/4885GRIN1 136/4885
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 HTR5A, PNMT, GRIK5 GRIN2D 340/4885GRIN3B 123/4885GRIN1 165/4885

“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.