SCHEMBL6330871

SCHEMBL6330871

N[C@@H]1CCN(c2nc(-c3cccc(F)c3F)c3ccccc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
PIM1 P11309 7/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SCN9A Q15858 1/20 0.41
HTR3A P46098 1/20 0.41
SSTR5 P35346 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
SSTR2 P30874 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6335744 1.00 ADORA2A (0.43) ADORA2APIM1L3MBTL1ALDH1A1KDM4E
SCHEMBL5788569 0.92 ADORA2A (0.52) ADORA2APIM1L3MBTL1ALDH1A1KDM4E
SCHEMBL6331657 0.92 ADORA2A (0.52) ADORA2APIM1L3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6328180 0.91 ADORA2A (0.51) ADORA2APIM1L3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6328189 0.91 ADORA2A (0.51) ADORA2APIM1L3MBTL1ALDH1A1KDM4E
SCHEMBL6330939 0.88 L3MBTL1 (0.46) PIM1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL6337475 0.88 L3MBTL1 (0.46) PIM1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL6337199 0.88 L3MBTL1 (0.46) PIM1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5802080 0.88 PIM1 (0.41) PIM1HTR3ASSTR5CAMK1DSSTR2
SCHEMBL6327624 0.88 PIM1 (0.41) PIM1HTR3ASSTR5CAMK1DSSTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 ADORA2A 138/4885PIM1 4198/4885L3MBTL1 2817/4885

“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.