SCHEMBL978209

SCHEMBL978209

c1ccc(NCCN2CCN(c3ncccn3)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
ADRA1A P35348 6/20 0.58
DRD3 P35462 6/20 0.58
HTR1A P08908 3/20 0.50
PIM1 P11309 1/20 0.50
KDM1A O60341 1/20 0.49
DRD4 P21917 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL976546 0.87 DRD2 (0.57) DRD2ADRA1ADRD3HTR1ADRD4
SCHEMBL8010491 0.87 DRD2 (0.60) DRD2ADRA1ADRD3HTR1A
SCHEMBL28007048 0.84 HRH3 (0.54) DRD2ADRA1ADRD3
SCHEMBL6506385 0.84 CYP1A2 (0.57) DRD2ADRA1ADRD3KDM4EALDH1A1
SCHEMBL976063 0.83 ADRA1A (0.73) DRD2ADRA1ADRD3HTR1AKDM4E
SCHEMBL31690833 0.83 HRH3 (0.56) DRD2ADRA1ADRD3
SCHEMBL4616926 0.82 ADRA1A (0.62) DRD2ADRA1ADRD3HTR1A
SCHEMBL7212266 0.81 HTR1A (0.64) DRD2ADRA1ADRD3HTR1APIM1
SCHEMBL27446049 0.81 L3MBTL1 (0.62) DRD2ADRA1ADRD3KDM4EALDH1A1
Bromide SCHEMBL7212285 0.80 HTR1A (0.62) DRD2ADRA1ADRD3HTR1APIM1

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 137/4885ADRA1A 35/4885DRD3 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.