SCHEMBL4906644

SCHEMBL4906644

CC(C)(NCc1cc(-c2ccc(C(F)(F)F)cc2)ccn1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.43
PSEN2 P49810 7/20 0.43
APH1B Q8WW43 7/20 0.43
NCSTN Q92542 7/20 0.43
APH1A Q96BI3 7/20 0.43
PSENEN Q9NZ42 7/20 0.43
CYP2D6 P10635 5/20 0.43
CYP3A4 P08684 2/20 0.43
KIF11 P52732 4/20 0.41
NR3C2 P08235 1/20 0.40
TRPV3 Q8NET8 4/20 0.39
CYP1A2 P05177 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP2C9 P11712 1/20 0.39
CTSS P25774 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCR7 P32248 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
Hydrochloric Acid SCHEMBL4899189 0.99 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4904071 0.88 CYP1A2 (0.51) CYP3A4KIF11NR3C2CYP1A2CTSL
SCHEMBL4909219 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4908124 0.86 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4904069 0.86 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14258726 0.81 KIF11 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14258733 0.81 SCN9A (0.43) CYP2D6CYP3A4NR3C2CYP1A2CYP2C19
SCHEMBL14258727 0.80 SCN9A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14258737 0.80 SCN9A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4904250 0.80 SCN9A (0.42) CYP2D6CYP3A4NR3C2CYP1A2CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US claimed
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2008017691-A1 PYRIDINE DERIVATIVES AS SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2008-02-14 WO 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-20080058391-A1 NOVEL COMPOUNDS HCN3, KCNN3, HCN4 PSEN1 2084/4885PSEN2 3329/4885APH1B 4039/4885

“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.