SCHEMBL6337199

SCHEMBL6337199

NC1CCN(c2nc(-c3c(F)cccc3F)c3ccccc3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
SCN9A Q15858 2/20 0.44
HTR3A P46098 2/20 0.44
CHEK2 O96017 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM2 Q9P1W9 1/20 0.40
HTR2A P28223 2/20 0.40
SSTR2 P30874 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6337475 1.00 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6330939 1.00 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5788569 0.89 ADORA2A (0.52) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6331657 0.89 ADORA2A (0.52) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6330871 0.88 ADORA2A (0.43) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6335744 0.88 ADORA2A (0.43) L3MBTL1ALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL6328180 0.88 ADORA2A (0.51) L3MBTL1ALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL6328189 0.88 ADORA2A (0.51) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6329198 0.87 NTRK1 (0.43) SCN9AHTR3APIM2SSTR2HRH4
SCHEMBL6337012 0.87 NTRK1 (0.43) SCN9AHTR3APIM2SSTR2HRH4

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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US claimed
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 L3MBTL1 2817/4885ALDH1A1 730/4885KDM4E 1392/4885

“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.