SCHEMBL6807028

SCHEMBL6807028

CSc1cc[13c](C(=O)N[C@H]2CN3CCC2CC3)s1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 18/20 0.62
HTR3E A5X5Y0 6/20 0.62
HTR3B O95264 6/20 0.62
HTR3A P46098 6/20 0.62
HTR3D Q70Z44 6/20 0.62
HTR3C Q8WXA8 6/20 0.62

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
SCHEMBL6829538 1.00 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7058263 0.86 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7060782 0.84 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7062712 0.83 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7061710 0.83 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7057972 0.83 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7063783 0.83 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7061832 0.83 CHRNA7 (0.66) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7060818 0.83 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7114228 0.82 CHRNA7 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157878-A1 Compounds as radioligands for the diagnosis of disease PHARMACIA & UPJOHN COMPANY 2004-08-12 US claimed
US-20040157878-A1 Compounds as radioligands for the diagnosis of disease PHARMACIA & UPJOHN COMPANY 2004-08-12 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-20040157878-A1 Compounds as radioligands for the diagnosis of disease CHRNG, CHRNB1, CHRNE CHRNA7 14/4885HTR3E 483/4885HTR3B 247/4885

“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.