SCHEMBL5464795

SCHEMBL5464795

NCCCCCCN1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.59
HTR2A P28223 4/20 0.51
HTR1A P08908 4/20 0.51
DRD2 P14416 4/20 0.51
SLC6A4 P31645 2/20 0.51
HRH1 P35367 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
CACNA1B Q00975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1650918 0.92 HTR2A (0.59) PIM1HTR2AHTR1ADRD2SLC6A4
SCHEMBL5323524 0.81 CES1 (0.53) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL5862632 0.80 HDAC8 (0.56) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL10613637 0.79 PTGS1 (0.53) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL7985761 0.77 HTR1A (0.54) PIM1HTR2AHTR1ADRD2SLC6A4
SCHEMBL21245974 0.76 HTR2A (0.86) PIM1HTR2AHTR1ADRD2SLC6A4
SCHEMBL15064787 0.76 HTR2A (0.43) PIM1HTR2AHTR1ADRD2SLC6A4
SCHEMBL19396856 0.76 MAPK1 (0.47) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL15423263 0.75 HTR1A (0.49) PIM1HTR2AHTR1ADRD2SLC6A4
SCHEMBL8103214 0.75 MTNR1A (0.47) HTR2AHTR1ADRD2SLC6A4HRH1

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
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 PIM1 3917/4885HTR2A 1240/4885HTR1A 1991/4885

“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.