SCHEMBL6329602

SCHEMBL6329602

NCC1CCN(c2nc(-c3ccc(F)cc3F)c3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 4/20 0.45
LMNA P02545 1/20 0.45
PIK3CB P42338 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
BPTF Q12830 1/20 0.41
PIM1 P11309 1/20 0.41
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
DKK1 O94907 1/20 0.40
GPR6 P46095 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
SCHEMBL5813840 0.94 BPTF (0.47) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5806581 0.85 BPTF (0.39) SCN9AL3MBTL1ALDH1A1KDM4EBPTF
SCHEMBL5788681 0.83 L3MBTL1 (0.44) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5786540 0.83 BPTF (0.40) SCN9ABPTFPIM1GPR6CHEK2
SCHEMBL5791531 0.83 ALDH1A1 (0.48) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL6329605 0.83 SCN9A (0.47) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5790589 0.82 ADORA2A (0.49) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5786609 0.82 ADORA2A (0.49) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5785662 0.82 ALDH1A1 (0.63) SCN9AL3MBTL1ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5785980 0.81 ADORA2A (0.48) SCN9AL3MBTL1ALDH1A1KDM4EHPGD

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 SCN9A 801/4885L3MBTL1 2817/4885ALDH1A1 730/4885

“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.