SCHEMBL6489569

SCHEMBL6489569

O=C(NC1CN2CC[C@H]1C2)c1ccc(-c2cccc(F)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
CHRNA7 P36544 8/20 0.54
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
PDE4B Q07343 2/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SLC9A1 P19634 1/20 0.46

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
SCHEMBL4201694 0.96 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7NR4A1NR4A2
SCHEMBL4201699 0.96 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7NR4A1NR4A2
SCHEMBL6487892 0.87 ALDH1A1 (0.67) ALDH1A1POLBCHRNA7HTR3A
SCHEMBL7064250 0.86 ALDH1A1 (0.66) ALDH1A1POLBCHRNA7HTR3A
SCHEMBL7063413 0.85 ALDH1A1 (0.54) ALDH1A1POLBCHRNA7HTR3EHTR3B
Hydrochloric Acid SCHEMBL7063856 0.85 ALDH1A1 (0.64) ALDH1A1POLBCHRNA7HTR3A
SCHEMBL6487435 0.84 NR4A1 (0.46) ALDH1A1POLBCHRNA7NR4A1NR4A2
SCHEMBL7063801 0.84 ALDH1A1 (0.63) ALDH1A1POLBCHRNA7HTR3EHTR3B
SCHEMBL6496520 0.83 NR4A1 (0.49) ALDH1A1CHRNA7NR4A1NR4A2NR4A3
SCHEMBL6496516 0.83 NR4A1 (0.49) ALDH1A1CHRNA7NR4A1NR4A2NR4A3

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 disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 ALDH1A1 625/4885POLB 1370/4885CHRNA7 1097/4885

“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.