SCHEMBL6801889

SCHEMBL6801889

O=C(N[C@H]1CN2CCC1CC2)c1n[13cH]cc2ccoc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.60
HTR3A P46098 7/20 0.60
HTR3E A5X5Y0 5/20 0.60
HTR3B O95264 5/20 0.60
HTR3D Q70Z44 5/20 0.60
HTR3C Q8WXA8 5/20 0.60
CYP2D6 P10635 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7400800 0.81 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6809610 0.80 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL10507711 0.80 HTR3A (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6804383 0.80 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6805797 0.77 CHRNA7 (0.43) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6007628 0.76 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008937 0.76 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6008707 0.76 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6008623 0.76 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5704712 0.75 CHRNA7 (0.84) 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.