SCHEMBL976063

SCHEMBL976063

Clc1ccccc1N1CCN(CCNc2ccccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.73
DRD2 P14416 9/20 0.73
DRD3 P35462 9/20 0.73
ADRA1B P35368 2/20 0.49
ADRA1D P25100 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
KCNH2 Q12809 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL4616926 0.86 ADRA1A (0.62) ADRA1ADRD2DRD3HTR1A
SCHEMBL978209 0.83 DRD2 (0.58) ADRA1ADRD2DRD3KDM4EHTR1A
SCHEMBL74384 0.83 ADRA1A (0.85) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL8013505 0.83 DRD2 (0.65) ADRA1ADRD2DRD3HTR1A
SCHEMBL976546 0.82 DRD2 (0.57) ADRA1ADRD2DRD3KCNH2HTR1A
SCHEMBL8010491 0.82 DRD2 (0.60) ADRA1ADRD2DRD3KCNH2HTR1A
SCHEMBL28007048 0.80 HRH3 (0.54) ADRA1ADRD2DRD3
SCHEMBL27263295 0.80 ADRA1A (0.55) ADRA1ADRD2DRD3ADRA1BADRA1D
SCHEMBL8010266 0.79 HTR1A (0.55) ADRA1ADRD2DRD3HTR1A
SCHEMBL8133702 0.79 DRD2 (0.55) ADRA1ADRD2DRD3HTR1A

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-7875287-B2 99mTc-8-[3-({2-[4-(2-methoxy-phenyl)-piperazine -1-yl]-ethyl}-pyridin-2-yl-amino)-propyl]-[1,2,5,8]dithiadiazecan-6-one; 5-HT1A selective serotonin receptors;receptivity; nonhydrolyzing; radiopharmaceuticals;scanning the brain; neurogenitive deseases; nervous system disorders KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2011-01-25 US disclosed
US-20070036715-A1 99mTc-8-[3-({2-[4-(2-methoxy-phenyl)-piperazine -1-yl]-ethyl}-pyridin-2-yl-amino)-propyl]-[1,2,5,8]dithiadiazecan-6-one; 5-HT1A selective serotonin receptors;receptivity; nonhydrolyzing; radiopharmaceuticals;scanning the brain; neurogenitive deseases; nervous system disorders KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2007-02-15 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-20070036715-A1 99mTc-8-[3-({2-[4-(2-methoxy-phenyl)-piperazine -1-yl]-ethyl}-pyridin-2-yl-amino)-propyl]-[1,2,5,8]dithiadiazecan-6-one; 5-HT1A selective serotonin receptors;receptivity; nonhydrolyzing; radiopharmaceuticals;scanning the brain; neurogenitive deseases; nervous system disorders HTR1A, HTR2A, HTR5A ADRA1A 35/4885DRD2 137/4885DRD3 250/4885

“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.