SCHEMBL6500463

SCHEMBL6500463

O=C(NC1CC2CC1CN2)c1ccc(-c2ccccc2NC(=O)C(F)(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.41
PARP14 Q460N5 1/20 0.39
HTR3E A5X5Y0 5/20 0.37
HTR3B O95264 5/20 0.37
HTR3A P46098 5/20 0.37
HTR3D Q70Z44 5/20 0.37
HTR3C Q8WXA8 5/20 0.37
ESRRG P62508 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
DYRK1A Q13627 1/20 0.33

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
SCHEMBL6487891 0.87 CHRNA7 (0.43) CHRNA7PARP14HTR3EHTR3BHTR3A
SCHEMBL6503138 0.85 PARP14 (0.35) PARP14TP53SMN1; SMN2HDAC6
SCHEMBL6488437 0.84 CHRNA7 (0.38) CHRNA7PARP14HTR3EHTR3BHTR3A
SCHEMBL7223114 0.84 CHRNA7 (0.40) CHRNA7PARP14HTR3EHTR3BHTR3A
SCHEMBL6488520 0.83 CHRNA7 (0.44) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6485911 0.83 ESRRG (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6485604 0.82 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6485554 0.81 CHRNA7 (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6496605 0.81 HPGD (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6491668 0.81 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D

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 CHRNA7 1097/4885PARP14 1038/4885HTR3E 3516/4885

“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.