SCHEMBL12469042

SCHEMBL12469042

Cn1ccnc1SCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD1 P21728 2/20 0.44
SIGMAR1 Q99720 4/20 0.44
BCL2A1 Q16548 1/20 0.44
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR7 P34969 2/20 0.42
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL12468880 0.93 DRD2 (0.46) DRD2DRD1SIGMAR1HTR1AHTR2A
SCHEMBL12469081 0.86 KCNH2 (0.58) DRD2DRD1SIGMAR1HTR1AHTR2A
SCHEMBL12468808 0.79 DRD2 (0.58) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL12468732 0.79 DRD2 (0.54) DRD2SIGMAR1HTR1AHTR2ADRD5
SCHEMBL12469195 0.79 KCNH2 (0.54) DRD1SIGMAR1HTR1ADRD3SLC6A3
SCHEMBL12469349 0.74 SLC6A2 (0.56) SIGMAR1KMT2ASLC6A2SLC6A3
SCHEMBL28161148 0.74 BCL2A1 (0.67) DRD2SIGMAR1BCL2A1DRD3SLC6A2
SCHEMBL11938912 0.73 KDM4E (0.68) DRD2SIGMAR1BCL2A1HTR1AHTR2A
SCHEMBL15348353 0.72 HTR7 (0.48) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL12469282 0.72 DRD2 (0.56) DRD2HTR1AHTR2ADRD3HTR7

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 2163/4885DRD1 3523/4885SIGMAR1 1706/4885

“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.