SCHEMBL6097739

SCHEMBL6097739

O=C(NC1CN2CC[C@H]1C2)c1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.51
HTR3A P46098 4/20 0.51
DRD4 P21917 2/20 0.48
SLC6A12 P48065 1/20 0.48
SLC6A13 Q9NSD5 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CYP2D6 P10635 1/20 0.48
CCKBR P32239 1/20 0.47

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
SCHEMBL6100744 0.96 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6099842 0.95 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6097906 0.85 CHRNA7 (0.63) CHRNA7HTR3ADRD4SLC6A12SLC6A13
SCHEMBL6101007 0.85 CHRNA7 (0.54) CHRNA7DRD4SLC6A12SLC6A13NPC1
SCHEMBL6101002 0.85 CHRNA7 (0.54) CHRNA7DRD4SLC6A12SLC6A13NPC1
SCHEMBL16233164 0.84 CHRNA7 (0.63) CHRNA7HTR3ANPC1HTR3EHTR3B
SCHEMBL6101981 0.83 DRD4 (0.53) CHRNA7DRD4SLC6A12SLC6A13NPC1
SCHEMBL6099267 0.83 CHRNA7 (0.54) CHRNA7HTR3ADRD4HTR3EHTR3B
SCHEMBL6099927 0.81 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL8307234 0.80 CHRNA7 (0.54) CHRNA7HTR3ANPC1MAPTHTR3E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CHRNA7 1836/4885HTR3A 3325/4885DRD4 2751/4885

“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.