SCHEMBL976546

SCHEMBL976546

c1ccc(NCCN2CCN(c3ccccn3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD3 P35462 6/20 0.57
ADRA1A P35348 5/20 0.57
POLB P06746 1/20 0.57
KCNH2 Q12809 1/20 0.57
HTR1A P08908 3/20 0.53
DRD4 P21917 2/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL978209 0.87 DRD2 (0.58) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL8010491 0.86 DRD2 (0.60) DRD2DRD3ADRA1AKCNH2HTR1A
SCHEMBL28007048 0.83 HRH3 (0.54) DRD2DRD3ADRA1A
SCHEMBL13711971 0.83 KCNH2 (0.71) DRD2DRD3POLBKCNH2HTR1A
SCHEMBL976063 0.82 ADRA1A (0.73) DRD2DRD3ADRA1AKCNH2HTR1A
SCHEMBL31690833 0.82 HRH3 (0.56) DRD2DRD3ADRA1A
SCHEMBL4616926 0.81 ADRA1A (0.62) DRD2DRD3ADRA1AHTR1A
SCHEMBL6506385 0.79 CYP1A2 (0.57) DRD2DRD3ADRA1APOLB
SCHEMBL27446049 0.79 L3MBTL1 (0.62) DRD2DRD3ADRA1A
SCHEMBL14761582 0.79 DRD2 (0.62) DRD2DRD3ADRA1APOLBKCNH2

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 DRD2 137/4885DRD3 250/4885ADRA1A 35/4885

“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.