SCHEMBL6101341

SCHEMBL6101341

N#Cc1cccc2cnc(C(=O)NC3CC4CC3CN4)cc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.36
USP30 Q70CQ3 1/20 0.35
CHRNA7 P36544 4/20 0.34
ABL1 P00519 2/20 0.33
HTT P42858 1/20 0.33
HTR3A P46098 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
MAP4K1 Q92918 3/20 0.32
AR P10275 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL6100264 0.90 CHRNA7 (0.34) IRAK4USP30CHRNA7HTR3ACHRNB2
SCHEMBL6099754 0.85 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6101021 0.85 CHRNA7 (0.36) IRAK4CHRNA7ABL1HTR3ACHRNB2
SCHEMBL6096798 0.83 USP30 (0.34) IRAK4USP30CHRNA7ABL1HTT
SCHEMBL6100564 0.83 KDM1A (0.37) IRAK4USP30CHRNA7ABL1HTT
SCHEMBL6100398 0.82 EPHX2 (0.36) CHRNA7HTR3AARGRM5
SCHEMBL6100239 0.82 HCRTR1 (0.37) CHRNA7
SCHEMBL843802 0.81 CHRNA7 (0.37) IRAK4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL6101122 0.81 IRAK4 (0.38) IRAK4USP30CHRNA7GRM5
SCHEMBL6099300 0.81 EPHX2 (0.36) CHRNA7HTR3AARGRM5

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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 IRAK4 3560/4885USP30 3403/4885CHRNA7 1836/4885

“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.