SCHEMBL6802970

SCHEMBL6802970

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.62
HTR3A P46098 7/20 0.62
HTR3E A5X5Y0 3/20 0.62
HTR3B O95264 3/20 0.62
HTR3D Q70Z44 3/20 0.62
HTR3C Q8WXA8 3/20 0.62
CYP2D6 P10635 1/20 0.62
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
NAMPT P43490 1/20 0.43
HTR1B P28222 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL6630638 1.00 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917958 1.00 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6630635 1.00 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6479813 0.99 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917832 0.91 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6432672 0.91 CHRNA7 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6632907 0.90 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6491732 0.90 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6805838 0.83 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6755095 0.83 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 14/4885HTR3A 262/4885HTR3E 483/4885

“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.