SCHEMBL6337012

SCHEMBL6337012

N[C@H]1CCN(c2nc(-c3c(F)cccc3F)c3ccc(F)cc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
MAP4K1 Q92918 1/20 0.43
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 2/20 0.40
KMT2A Q03164 1/20 0.40
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39
ADRA1A P35348 1/20 0.39
PIM1 P11309 4/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
SSTR5 P35346 2/20 0.38
CYP2D6 P10635 1/20 0.38
SSTR2 P30874 2/20 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
SCHEMBL6334984 1.00 NTRK1 (0.43) NTRK1MAP4K1HTR3AHRH4KMT2A
SCHEMBL6329198 1.00 NTRK1 (0.43) NTRK1MAP4K1HTR3AHRH4KMT2A
SCHEMBL5802080 0.89 PIM1 (0.41) NTRK1MAP4K1HTR3AHRH4KMT2A
SCHEMBL6327624 0.89 PIM1 (0.41) NTRK1MAP4K1HTR3AHRH4KMT2A
SCHEMBL6337199 0.87 L3MBTL1 (0.46) HTR3AHRH4PIM1PIM2SSTR2
SCHEMBL6330939 0.87 L3MBTL1 (0.46) HTR3AHRH4PIM1PIM2SSTR2
SCHEMBL6337475 0.87 L3MBTL1 (0.46) HTR3AHRH4PIM1PIM2SSTR2
SCHEMBL5787010 0.80 ALDH1A1 (0.52) NTRK1KMT2APRKCBPRKCAPRKCH
SCHEMBL5788983 0.80 PRKCB (0.55) HTR3AHRH4KMT2APRKCBPRKCA
SCHEMBL6331657 0.76 ADORA2A (0.52) HTR3APIM1PIM3PIM2SSTR2

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 NTRK1 332/4885MAP4K1 1338/4885HTR3A 69/4885

“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.