SCHEMBL977564

SCHEMBL977564

COc1ccc(N2CCN(CCNc3ccccn3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.58
DRD3 P35462 8/20 0.58
ADRA1A P35348 5/20 0.58
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
DRD4 P21917 3/20 0.53
HTR2A P28223 1/20 0.52
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 3/20 0.50

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
SCHEMBL27352770 0.88 DRD3 (0.61) DRD2DRD3ADRA1AMAPTDRD4
SCHEMBL8010491 0.86 DRD2 (0.60) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL27524763 0.81 DRD2 (0.56) DRD2DRD3ADRA1A
SCHEMBL31232711 0.81 ALDH1A1 (0.58) DRD2DRD3MAPTRAB9AKMT2A
SCHEMBL74384 0.81 ADRA1A (0.85) DRD2DRD3ADRA1AHTR1A
SCHEMBL7144879 0.81 HTR1A (0.70) DRD2DRD3ADRA1AMAPTKMT2A
Hydrochloric Acid SCHEMBL7146324 0.80 HTR1A (0.69) DRD2DRD3ADRA1AMAPTKMT2A
SCHEMBL978209 0.79 DRD2 (0.58) DRD2DRD3ADRA1ADRD4HTR1A
SCHEMBL977214 0.79 LMNA (0.68) MAPTKMT2ADRD4
SCHEMBL3121989 0.79 DRD2 (0.67) DRD2DRD3ADRA1AHTR2AHTR1A

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.