SCHEMBL2390921

SCHEMBL2390921

CC(c1ccccn1)C(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 1/20 0.55
SLC10A1 Q14973 2/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 4/20 0.47
ADRA2C P18825 2/20 0.47
ADRA2A P08913 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
CHRM2 P08172 2/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
CYP3A4 P08684 2/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL12663369 0.82 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL9661871 0.81 SMN1; SMN2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL24925875 0.80 CYP1A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL2763161 0.78 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3SLC10A1ALDH1A1
SCHEMBL5568080 0.77 CYP1A2 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL477369 0.76 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3SLC10A1ALDH1A1
SCHEMBL23610049 0.76 CYP3A4 (0.48) SLC6A2SLC6A4SLC6A3SLC10A1ALDH1A1
SCHEMBL20604265 0.76 CYP3A4 (0.47) SLC6A2SLC6A4SLC6A3SLC10A1ALDH1A1
SCHEMBL3103040 0.76 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL23610057 0.76 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3SLC10A1ALDH1A1

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-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-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-20120115913-A1 Ethanamine Compounds and Methods of Using the Same BALESTRA MICHAEL (US) 2012-05-10 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 SLC6A2 42/4885SLC6A4 29/4885SLC6A3 86/4885
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same PNMT, TPH1, TPH2 SLC6A2 14/4885SLC6A4 15/4885SLC6A3 52/4885
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME TPH1, TPH2, PNMT SLC6A2 53/4885SLC6A4 36/4885SLC6A3 100/4885
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 HTR5A, PNMT, GRIK5 SLC6A2 83/4885SLC6A4 51/4885SLC6A3 134/4885

“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.