SCHEMBL16553287

SCHEMBL16553287

O=c1ccc2ccc(OCCCCN3CCc4sccc4C3)nc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.52
DRD2 P14416 11/20 0.52
HTR2A P28223 10/20 0.52
HTR7 P34969 8/20 0.45
HTR6 P50406 3/20 0.45
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
HTR2C P28335 2/20 0.38
DRD3 P35462 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38

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
SCHEMBL15546097 0.92 DRD2 (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL15545082 0.85 HTR1A (0.57) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL20078464 0.84 HTR1A (0.56) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL15560216 0.80 DRD2 (0.51) HTR1ADRD2HTR2ATMEM97SIGMAR1
SCHEMBL15545832 0.80 HTR1A (0.51) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL15547087 0.80 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR2C
SCHEMBL16559730 0.80 DRD2 (0.51) HTR1ADRD2HTR2ATMEM97SIGMAR1
SCHEMBL15545822 0.80 DRD2 (0.64) HTR1ADRD2HTR2AHTR7DRD1
SCHEMBL15544788 0.79 DRD2 (0.58) HTR1ADRD2HTR2ADRD1DRD4
SCHEMBL15601679 0.79 HTR1A (0.49) HTR1ADRD2HTR2ADRD1DRD4

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 9 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
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

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 HTR1A 24/4885DRD2 53/4885HTR2A 16/4885
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU HTR1A 24/4885DRD2 53/4885HTR2A 16/4885

“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.