SCHEMBL6498394

SCHEMBL6498394

Cc1ccccc1-c1ccc(C(=O)NC2CC3CNC2C3)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
CHRNA7 P36544 9/20 0.45
MAPK11 Q15759 4/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
HTR3E A5X5Y0 4/20 0.39
HTR3B O95264 4/20 0.39
HTR3A P46098 4/20 0.39
HTR3D Q70Z44 4/20 0.39
HTR3C Q8WXA8 4/20 0.39
MCHR1 Q99705 1/20 0.38
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL6498109 0.89 CHRNA7 (0.57) CHRNA7MAPK11MAPK14MAPK13MAPK12
SCHEMBL6497702 0.88 CHRNA7 (0.43) HPGDCHRNA7HSD17B1HSD17B2HTR3E
SCHEMBL6489827 0.87 CHRNA7 (0.60) HPGDCHRNA7HSD17B1HSD17B2HTR3E
SCHEMBL6489926 0.87 CHRNA7 (0.42) HPGDCHRNA7HSD17B1HSD17B2HTR3E
SCHEMBL6497430 0.87 ESRRG (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6486229 0.85 CHRNA7 (0.42) CHRNA7MAPK11MAPK14MAPK13MAPK12
SCHEMBL6497432 0.84 CHRNA7 (0.54) HPGDCHRNA7MAPK11MAPK14HTR3E
SCHEMBL6488254 0.83 USP30 (0.40) HPGDMAPK11MAPK14
SCHEMBL6486663 0.82 ESRRG (0.46) HPGDCHRNA7MAPK11MAPK14HSD17B1
SCHEMBL6496605 0.81 HPGD (0.49) HPGDCHRNA7MAPK11MAPK14MAPK13

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 HPGD 706/4885CHRNA7 1097/4885MAPK11 4216/4885

“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.