SCHEMBL2398644

SCHEMBL2398644

CC(C(=O)c1ccccc1)c1ccccn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.81
CYP3A4 P08684 2/20 0.81
ALDH1A1 P00352 1/20 0.51
ADRA2A P08913 2/20 0.46
PGR P06401 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
ABCB11 O95342 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL933349 0.83 CYP3A4 (0.62) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
SCHEMBL6264784 0.83 CYP3A4 (0.62) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
Hydrochloric Acid SCHEMBL28672927 0.81 CYP3A4 (0.60) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
Hydrogen Sulfide SCHEMBL8052104 0.81 CYP3A4 (0.60) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
SCHEMBL27536605 0.81 CYP1A2 (0.64) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
SCHEMBL10893337 0.80 LMNA (0.55) CYP1A2CYP3A4ALDH1A1KMT2ASLC6A3
SCHEMBL3289319 0.79 CYP3A4 (0.62) CYP1A2CYP3A4ALDH1A1ADRA2AKCNH2
SCHEMBL6510710 0.79 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
SCHEMBL15942047 0.79 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A
SCHEMBL28116116 0.79 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1ADRA2AKMT2A

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 22 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
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

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 CYP1A2 268/4885CYP3A4 387/4885ALDH1A1 517/4885
US-20120277272-A1 Ethanamine Compounds and Methods of Using the Same PNMT, TPH1, TPH2 CYP1A2 1162/4885CYP3A4 2159/4885ALDH1A1 802/4885
US-20130137731-A1 ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME TPH1, TPH2, PNMT CYP1A2 355/4885CYP3A4 458/4885ALDH1A1 548/4885
US-20100179199-A1 Ethanamine Compounds and Methods of Using the Same 545 HTR5A, PNMT, GRIK5 CYP1A2 380/4885CYP3A4 357/4885ALDH1A1 667/4885

“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.