SCHEMBL6327624

SCHEMBL6327624

N[C@@H]1CCN(c2nc(-c3cccc(F)c3F)c3ccc(F)cc3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.41
CAMK1D Q8IU85 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
HTR3A P46098 1/20 0.39
SSTR5 P35346 4/20 0.39
CYP2D6 P10635 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
KMT2A Q03164 1/20 0.38
SSTR2 P30874 2/20 0.38
SSTR4 P31391 1/20 0.38
KCNH2 Q12809 1/20 0.38
NTRK1 P04629 1/20 0.37
MAP4K1 Q92918 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1B P35368 2/20 0.37

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
SCHEMBL5802080 1.00 PIM1 (0.41) PIM1CAMK1DPRKCBPRKCAPRKCH
SCHEMBL6337012 0.89 NTRK1 (0.43) PIM1PRKCBPRKCAPRKCHPRKCE
SCHEMBL6334984 0.89 NTRK1 (0.43) PIM1PRKCBPRKCAPRKCHPRKCE
SCHEMBL6329198 0.89 NTRK1 (0.43) PIM1PRKCBPRKCAPRKCHPRKCE
SCHEMBL6335744 0.88 ADORA2A (0.43) PIM1CAMK1DHTR3ASSTR5SSTR2
SCHEMBL6330871 0.88 ADORA2A (0.43) PIM1CAMK1DHTR3ASSTR5SSTR2
SCHEMBL5823012 0.83 ACHE (0.36) PIM1PRKCBPRKCAPRKCHPRKCE
SCHEMBL5787181 0.81 ALDH1A1 (0.48) PIM1PRKCBPRKCAPRKCHPRKCE
SCHEMBL6331657 0.80 ADORA2A (0.52) PIM1HTR3ASSTR2PIM3PIM2
SCHEMBL5788569 0.80 ADORA2A (0.52) PIM1HTR3ASSTR2PIM3PIM2

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 PIM1 4198/4885CAMK1D 1775/4885PRKCB 4041/4885

“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.