SCHEMBL12468833

SCHEMBL12468833

Cn1ccnc1SCCCN1CCN(c2nccc3occc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.50
HTR2A P28223 11/20 0.50
DRD3 P35462 11/20 0.50
HTR2C P28335 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
SCHEMBL12468939 0.94 DRD2 (0.52) DRD2HTR2ADRD3HTR2C
SCHEMBL12468861 0.78 HTR2C (0.58) DRD2HTR2ADRD3HTR2C
SCHEMBL12468950 0.78 ALDH1A1 (0.44) DRD2HTR2ADRD3HTR2C
SCHEMBL12468829 0.75 HRH3 (0.62) DRD2HTR2ADRD3HTR2C
SCHEMBL11835040 0.75 DRD2 (0.61) DRD2HTR2ADRD3HTR2C
SCHEMBL3679735 0.74 HTR2C (0.69) DRD2HTR2ADRD3HTR2C
SCHEMBL15348174 0.74 DRD2 (0.52) DRD2HTR2ADRD3HTR2C
Hydrochloric Acid SCHEMBL11830632 0.74 DRD2 (0.60) DRD2HTR2ADRD3HTR2C
SCHEMBL15348353 0.72 HTR7 (0.48) DRD2HTR2A
SCHEMBL12469400 0.71 ALDH1A1 (0.44) DRD2HTR2ADRD3HTR2C

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 4 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 claimed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 WO claimed
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 2163/4885HTR2A 52/4885DRD3 2127/4885

“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.