SCHEMBL6801663

SCHEMBL6801663

O=C(N[C@H]1CN2CCC1CC2)[13c]1ccc([N+](=O)[O-])s1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.61
HTR3E A5X5Y0 6/20 0.61
HTR3B O95264 6/20 0.61
HTR3A P46098 6/20 0.61
HTR3D Q70Z44 6/20 0.61
HTR3C Q8WXA8 6/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 1/20 0.58

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
SCHEMBL7064183 1.00 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7064001 0.99 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499725 0.94 SMN1; SMN2 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7119628 0.82 CHRNA7 (0.71) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7063850 0.82 CHRNA7 (0.70) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7062867 0.80 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4201701 0.80 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4213700 0.80 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6806920 0.80 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7061832 0.80 CHRNA7 (0.66) 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 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 14/4885HTR3E 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.