SCHEMBL12468792

SCHEMBL12468792

Cn1ccnc1SCCN1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
HTR1A P08908 5/20 0.46
DRD2 P14416 4/20 0.46
HTR2A P28223 4/20 0.46
DRD1 P21728 3/20 0.46
HTR2C P28335 3/20 0.46
HTR3A P46098 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR7 P34969 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A4 P31645 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL15348353 0.93 HTR7 (0.48) HPGDHTR1ADRD2HTR2AHTR7
SCHEMBL12469282 0.82 DRD2 (0.56) HTR1ADRD2HTR2AADRA1AHTR7
SCHEMBL12468808 0.76 DRD2 (0.58) HTR1ADRD2HTR2AADRA1AHTR7
SCHEMBL12469195 0.75 KCNH2 (0.54) HTR1ADRD1ADRA1AHTR7SLC6A4
SCHEMBL12469049 0.75 ALDH1A1 (0.48) HPGDNPC1RAB9A
SCHEMBL12468893 0.73 SIGMAR1 (0.53) HTR1ADRD2ADRA1AHTR7NPC1
SCHEMBL12468880 0.71 DRD2 (0.46) HTR1ADRD2HTR2ADRD1ADRA1D
SCHEMBL12468939 0.71 DRD2 (0.52) DRD2HTR2AHTR2C
SCHEMBL7592384 0.71 HTR1A (0.60) HTR1ADRD2HTR2ADRD1HTR2C
SCHEMBL9287528 0.70 HTR1A (0.55) HPGDHTR1ADRD2HTR2ADRD1

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 HPGD 2294/4885HTR1A 288/4885DRD2 2163/4885

“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.