SCHEMBL978086

SCHEMBL978086

O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 6/20 0.60
GAA P10253 4/20 0.60
MAPT P10636 3/20 0.60
GFER P55789 2/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
THRB P10828 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
DRD2 P14416 2/20 0.52
DRD4 P21917 1/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL8001825 0.86 LMNA (0.60) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL27337619 0.84 HTT (0.58) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL8012858 0.84 DRD2 (0.63) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL977710 0.83 ALDH1A1 (0.65) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL14427198 0.83 KMT2A (0.68) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL8919985 0.80 MEN1 (0.64) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL8131064 0.80 GOT1 (0.53) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL8013519 0.80 HTR1A (0.53) MEN1KMT2AHTTALDH1A1GAA
Hydrochloric Acid SCHEMBL4856278 0.79 MEN1 (0.52) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL4714057 0.79 MEN1 (0.66) MEN1KMT2AHTTALDH1A1GAA

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.