SCHEMBL6500511

SCHEMBL6500511

COc1ccccc1-c1ccc(C(=O)NC2CC3CC2CN3)s1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.63
HDAC6 Q9UBN7 1/20 0.48
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
APP P05067 1/20 0.43
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCL6 P41182 1/20 0.40
HTR3A P46098 5/20 0.39
HTR3E A5X5Y0 4/20 0.39
HTR3B O95264 4/20 0.39
HTR3D Q70Z44 4/20 0.39
HTR3C Q8WXA8 4/20 0.39
MCHR1 Q99705 1/20 0.39
CNR1 P21554 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
SCHEMBL6496605 0.86 HPGD (0.49) CHRNA7HSD17B1HSD17B2HPGDHTR3A
SCHEMBL6485554 0.85 CHRNA7 (0.46) CHRNA7HSD17B1HSD17B2KCNH2SCN5A
SCHEMBL6491668 0.84 CHRNA7 (0.45) CHRNA7HSD17B1HSD17B2KCNH2SCN5A
SCHEMBL6499756 0.84 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6485911 0.84 ESRRG (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6490625 0.84 HDAC3 (0.50) CHRNA7HDAC6APPALDH1A1HPGD
SCHEMBL6489827 0.83 CHRNA7 (0.60) CHRNA7HDAC6HSD17B1HSD17B2APP
SCHEMBL6487891 0.82 CHRNA7 (0.43) CHRNA7KCNH2SCN5AALDH1A1HTR3A
SCHEMBL7232275 0.82 CHRNA7 (0.62) CHRNA7HDAC6HSD17B1HSD17B2APP
SCHEMBL6486653 0.82 KDM4E (0.55) CHRNA7HSD17B1HSD17B2KCNH2ALDH1A1

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 1097/4885HDAC6 1069/4885HSD17B1 311/4885

“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.