SCHEMBL6805838

SCHEMBL6805838

C[C@H]1[C@H](NC(=O)c2ccc3o[13c](C)cc3c2)C2CCN1CC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 18/20 0.61
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
HTR3A P46098 3/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL6755095 1.00 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6628931 0.91 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6757496 0.91 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6758500 0.87 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6652599 0.87 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6758226 0.86 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6759418 0.85 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6802970 0.83 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5917958 0.83 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL6630638 0.83 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BCYP2D6

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-20040157878-A1 Compounds as radioligands for the diagnosis of disease PHARMACIA & UPJOHN COMPANY 2004-08-12 US claimed
WO-2004052889-A1 COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO claimed
US-20040157878-A1 Compounds as radioligands for the diagnosis of disease PHARMACIA & UPJOHN COMPANY 2004-08-12 US disclosed
WO-2004052889-A1 COMPOUNDS AS RADIOLIGANDS FOR THE DIAGNOSIS OF DISEASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 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-20040157878-A1 Compounds as radioligands for the diagnosis of disease CHRNG, CHRNB1, CHRNE CHRNA7 14/4885CHRNB2 8/4885CHRNA4 19/4885

“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.