SCHEMBL5813843

SCHEMBL5813843

CNC1CCN(c2nc(-c3ccc(F)cc3F)c3ccccc3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
HRH4 Q9H3N8 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CHEK2 O96017 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
HRH1 P35367 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5786548 0.95 SCN9A (0.41) SCN9AHRH4L3MBTL1CHEK2KDM4E
SCHEMBL6329605 0.95 SCN9A (0.47) SCN9AHRH4L3MBTL1CHEK2KDM4E
SCHEMBL5806584 0.93 SCN9A (0.41) SCN9AHRH4L3MBTL1CHEK2KDM4E
SCHEMBL5786619 0.89 ADORA2A (0.47) SCN9AHRH4L3MBTL1CHEK2KDM4E
SCHEMBL5786617 0.89 ADORA2A (0.47) SCN9AHRH4L3MBTL1CHEK2KDM4E
Hydrochloric Acid SCHEMBL5785987 0.88 ADORA2A (0.46) SCN9AHRH4L3MBTL1CHEK2KDM4E
Hydrochloric Acid SCHEMBL6331043 0.88 ADORA2A (0.46) SCN9AHRH4L3MBTL1CHEK2KDM4E
SCHEMBL5786540 0.88 BPTF (0.40) SCN9AHRH4CHEK2CYP2D6CHRM1
SCHEMBL5806581 0.86 BPTF (0.39) SCN9AHRH4L3MBTL1CHEK2KDM4E
SCHEMBL5823230 0.84 HRH4 (0.44) SCN9AHRH4L3MBTL1CHEK2KDM4E

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 4 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
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
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 801/4885HRH4 145/4885L3MBTL1 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.