SCHEMBL6488068

SCHEMBL6488068

O=C(NC1CC2CC1CN2)c1ccc(-c2cccc(F)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
GAA P10253 4/20 0.47
MGAM O43451 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
SLC9A1 P19634 1/20 0.46
PDE4B Q07343 6/20 0.45
C3AR1 Q16581 1/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 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
SCHEMBL6498034 0.88 RAB9A (0.42) NR4A1NR4A2NR4A3GAAALDH1A1
SCHEMBL6502351 0.88 ALDH1A1 (0.52) GAAMGAMSIMGAM2SLC9A1
SCHEMBL6496112 0.87 SLC9A1 (0.46) GAASLC9A1C3AR1ALDH1A1MAPT
SCHEMBL6491662 0.87 ALDH1A1 (0.55) GAAMGAMSIMGAM2SLC9A1
SCHEMBL6499804 0.87 ALDH1A1 (0.44) NR4A1NR4A2NR4A3GAAC3AR1
SCHEMBL6489856 0.87 ERCC5 (0.45) GAAMGAMSIMGAM2SLC9A1
SCHEMBL6486913 0.86 SLC9A1 (0.48) SLC9A1C3AR1ALDH1A1MAPTNPC1
SCHEMBL6488949 0.84 NQO2 (0.51) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL6496691 0.83 MAPT (0.40) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL6499153 0.82 FAAH (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 NR4A1 160/4885NR4A2 777/4885NR4A3 1153/4885

“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.