SCHEMBL6489926

SCHEMBL6489926

Nc1ccccc1-c1ccc(C(=O)NC2CC3CNC2C3)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.42
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
DYRK1A Q13627 3/20 0.39
DYRK1B Q9Y463 3/20 0.39
HTR3E A5X5Y0 5/20 0.38
HTR3B O95264 5/20 0.38
HTR3A P46098 5/20 0.38
HTR3D Q70Z44 5/20 0.38
HTR3C Q8WXA8 5/20 0.38
PRP4K Q13523 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6497702 0.88 CHRNA7 (0.43) CHRNA7HSD17B1HSD17B2DYRK1ADYRK1B
SCHEMBL6497430 0.87 ESRRG (0.48) CHRNA7DYRK1ADYRK1BHTR3EHTR3B
SCHEMBL6498394 0.87 HPGD (0.48) CHRNA7HSD17B1HSD17B2DYRK1ADYRK1B
SCHEMBL6498109 0.87 CHRNA7 (0.57) CHRNA7DYRK1ADYRK1BHTR3EHTR3B
SCHEMBL6489827 0.85 CHRNA7 (0.60) CHRNA7HSD17B1HSD17B2HTR3EHTR3B
SCHEMBL6497432 0.84 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6486229 0.83 CHRNA7 (0.42) CHRNA7DYRK1ADYRK1BHTR3EHTR3B
SCHEMBL6495825 0.83 USP30 (0.38) HDAC1
SCHEMBL6498807 0.82 MAPK11 (0.43) CHRNA7HSD17B1HSD17B2HTR3EHTR3B
SCHEMBL6491668 0.81 CHRNA7 (0.45) CHRNA7HSD17B1HSD17B2DYRK1ADYRK1B

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 6 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 1097/4885HSD17B1 311/4885HSD17B2 517/4885

“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.