SCHEMBL12469282

SCHEMBL12469282

Cn1ccnc1SCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.56
DRD3 P35462 16/20 0.56
HTR2A P28223 3/20 0.49
ADRA1A P35348 1/20 0.48
DRD4 P21917 6/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
OPRM1 P35372 1/20 0.46

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
SCHEMBL12468808 0.93 DRD2 (0.58) DRD2DRD3HTR2AADRA1ADRD4
SCHEMBL12468792 0.82 HPGD (0.47) DRD2HTR2AADRA1AHTR1AHTR7
SCHEMBL12469195 0.80 KCNH2 (0.54) DRD3ADRA1AHTR1AHTR7OPRM1
SCHEMBL12468880 0.78 DRD2 (0.46) DRD2DRD3HTR2AADRA1ADRD4
SCHEMBL15348353 0.76 HTR7 (0.48) DRD2HTR2AHTR1AHTR7
SCHEMBL12469487 0.74 SLC6A2 (0.52) DRD2DRD3HTR2ADRD4OPRM1
SCHEMBL12469081 0.73 KCNH2 (0.58) DRD2DRD3HTR2AADRA1ADRD4
SCHEMBL2782258 0.73 DRD2 (1.00) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL12468893 0.73 SIGMAR1 (0.53) DRD2DRD3ADRA1AHTR1AHTR7
SCHEMBL14494878 0.72 DRD2 (0.76) DRD2DRD3HTR2AADRA1ADRD4

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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES EPIOMED THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 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 (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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES NLN, HTT, ABAT DRD2 2163/4885DRD3 2127/4885HTR2A 52/4885

“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.