SCHEMBL15601757

SCHEMBL15601757

CCOc1ccccc1N1CCN(CCCCOc2ccc3cn[nH]c3c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.69
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
DRD3 P35462 6/20 0.60
ADRA1A P35348 1/20 0.60
DRD4 P21917 5/20 0.57
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL253284 0.91 SLC6A2 (0.74) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL252898 0.88 SLC6A2 (0.74) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL16559648 0.87 DRD2 (0.72) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL15601686 0.87 DRD2 (0.72) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL15601738 0.86 DRD2 (0.87) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL7929 0.85 DRD2 (0.93) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL15601753 0.84 DRD2 (0.74) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL15545794 0.83 DRD2 (0.73) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL251950 0.82 DRD2 (1.00) DRD2SLC6A2SLC6A4DRD3ADRA1A
SCHEMBL252032 0.81 DRD2 (1.00) 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 10 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
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.