SCHEMBL6501667

SCHEMBL6501667

CN(C(=O)OC(C)(C)C)c1ncc(C(=O)NC2CN3CCC2C3)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 17/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
SIK1 P57059 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40
HTR3E A5X5Y0 6/20 0.39
HTR3B O95264 6/20 0.39
HTR3A P46098 6/20 0.39
HTR3D Q70Z44 6/20 0.39
HTR3C Q8WXA8 6/20 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
SCHEMBL7202680 0.95 CHRNA7 (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7523653 0.81 BRS3 (0.36) ABL1
SCHEMBL7652150 0.81 CHRNA7 (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6500451 0.75 ABL1 (0.51) CHRNA7ABL1SRCSIK1SIK2
SCHEMBL6496980 0.71 HCAR2 (0.44) ABL1
SCHEMBL6502838 0.71 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL28474114 0.70 ALDH1A1 (0.41) ABL1
SCHEMBL7225133 0.69 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7120966 0.69 ABL1 (0.54) CHRNA7ABL1SRCSIK1SIK2
SCHEMBL843533 0.69 CTSK (0.47) CHRNA7HTR3A

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 2 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 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 1097/4885ABL1 853/4885SRC 2968/4885

“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.