SCHEMBL20078464

SCHEMBL20078464

O=c1ccc2ccc(OCCCCN3CCc4ccccccccc4C3)nc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
DRD2 P14416 2/20 0.56
HTR2A P28223 1/20 0.56
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.47
HTR7 P34969 2/20 0.46
DRD3 P35462 1/20 0.46
HTR5A P47898 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL15545082 0.99 HTR1A (0.57) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL15545832 0.86 HTR1A (0.51) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL16559730 0.86 DRD2 (0.51) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL15547087 0.86 HTR1A (0.55) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL15560216 0.86 DRD2 (0.51) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL15545822 0.85 DRD2 (0.64) HTR1ADRD2HTR2AMEN1KMT2A
SCHEMBL15601679 0.84 HTR1A (0.49) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL16553094 0.84 DRD2 (0.49) HTR1ADRD2HTR2AMAOAMAOB
SCHEMBL16553287 0.84 HTR1A (0.52) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL15546097 0.84 DRD2 (0.52) HTR1ADRD2HTR2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.