SCHEMBL1023091

SCHEMBL1023091

CCCCCN1CCN(CC(=O)Nc2ccccn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
OGA O60502 1/20 0.54
GAA P10253 1/20 0.52
ALOX12 P18054 1/20 0.52
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TAOK1 Q7L7X3 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 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
SCHEMBL8919985 0.85 MEN1 (0.64) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL1308281 0.83 MEN1 (0.65) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8145351 0.81 OGA (0.59) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL14427198 0.80 KMT2A (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL19231571 0.80 MEN1 (0.58) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL19231572 0.80 MEN1 (0.60) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL10245567 0.80 MEN1 (0.60) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL1022159 0.79 DRD2 (0.62) HTTSMN1; SMN2LMNAALOX12KDM4E
SCHEMBL4714057 0.79 MEN1 (0.66) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL22610225 0.78 HDAC3 (0.73) HTTSMN1; SMN2ALDH1A1LMNAGAA

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 MEN1 876/4885KMT2A 2046/4885HTT 1145/4885

“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.