SCHEMBL6498511

SCHEMBL6498511

COc1cccc(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4C)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.55
HTR3E A5X5Y0 5/20 0.55
HTR3B O95264 5/20 0.55
HTR3A P46098 5/20 0.55
HTR3D Q70Z44 5/20 0.55
HTR3C Q8WXA8 5/20 0.55
HDAC6 Q9UBN7 1/20 0.47
MCHR1 Q99705 1/20 0.46
HSD17B2 P37059 5/20 0.44
HSD17B1 P14061 3/20 0.44

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
SCHEMBL6502086 0.91 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499261 0.89 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499799 0.88 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499389 0.88 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6497676 0.87 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6489916 0.87 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6488187 0.87 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4197233 0.86 CHRNA7 (0.75) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4197229 0.86 CHRNA7 (0.75) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6494879 0.86 USP30 (0.47) 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 8 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
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 CHRNA7 1097/4885HTR3E 3516/4885HTR3B 2561/4885

“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.