SCHEMBL6096798

SCHEMBL6096798

N#Cc1cccc2cnc(C(=O)NC3CC4CNC3C4)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
GRM5 P41594 3/20 0.33
ABL1 P00519 2/20 0.33
HTT P42858 1/20 0.33
CHRNA7 P36544 2/20 0.32
MAP4K1 Q92918 3/20 0.31
AR P10275 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
PDE9A O76083 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6100142 0.90 CHRNA7 (0.32) USP30CHRNA7KDM4ENPC1ALDH1A1
SCHEMBL6099240 0.85 KDM4E (0.34) GRM5ABL1CHRNA7KDM4ENPC1
SCHEMBL6101004 0.85 CHRNB2 (0.34) GRM5CHRNA7KDM4ENPC1ALDH1A1
SCHEMBL6101341 0.83 IRAK4 (0.36) USP30GRM5ABL1HTTCHRNA7
SCHEMBL6099257 0.83 GRM5 (0.36) GRM5ARNPC1RAB9A
SCHEMBL6098642 0.82 HCRTR1 (0.37) CHRNA7KDM4ENPC1ALDH1A1MAPT
SCHEMBL6100564 0.82 KDM1A (0.37) USP30GRM5ABL1HTTCHRNA7
SCHEMBL6100286 0.81 GRM5 (0.36) GRM5ARNPC1ALDH1A1LMNA
SCHEMBL843629 0.80 CHRNA7 (0.35) CHRNA7PDE9A
SCHEMBL6100073 0.80 USP30 (0.37) USP30GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 USP30 3403/4885GRM5 1965/4885ABL1 236/4885

“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.