SCHEMBL15545794

SCHEMBL15545794

Cc1cccc(N2CCN(CCCCOc3ccc4cn[nH]c4c3)CC2)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.73
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
DRD3 P35462 3/20 0.51
ADRA1A P35348 2/20 0.51
DRD4 P21917 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49

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
SCHEMBL15601686 0.92 DRD2 (0.72) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL16559653 0.87 DRD2 (0.62) DRD2SLC6A2SLC6A4HTR1AHTR2A
SCHEMBL15601753 0.85 DRD2 (0.74) DRD2SLC6A2SLC6A4HTR1AHTR2A
SCHEMBL15601738 0.85 DRD2 (0.87) DRD2SLC6A2SLC6A4HTR1AHTR2A
SCHEMBL251950 0.84 DRD2 (1.00) DRD2SLC6A2SLC6A4HTR1AHTR2A
SCHEMBL253284 0.84 SLC6A2 (0.74) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL15601757 0.83 DRD2 (0.69) DRD2SLC6A2SLC6A4HTR1ADRD3
SCHEMBL15546438 0.82 DRD2 (0.62) DRD2HTR1AHTR2ADRD3ADRA1A
SCHEMBL253667 0.82 DRD2 (0.66) DRD2SLC6A2SLC6A4HTR1AHTR2A
SCHEMBL252898 0.81 SLC6A2 (0.74) DRD2SLC6A2SLC6A4DRD3ADRA1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847193-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-01-31 US disclosed
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-01-31 US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed
EP-2847193-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2015-03-18 EP disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 US disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 US disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 US disclosed
WO-2013169964-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2013-11-14 WO disclosed
WO-2013169964-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2013-11-14 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-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU DRD2 53/4885SLC6A2 294/4885SLC6A4 378/4885
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU DRD2 53/4885SLC6A2 294/4885SLC6A4 378/4885

“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.