SCHEMBL6098965

SCHEMBL6098965

N#Cc1cccc2cc(C(=O)N[C@@H]3CC4CCN(CC4)C3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.51
KDM2B Q8NHM5 2/20 0.43
HTR3A P46098 2/20 0.41
AR P10275 5/20 0.40
GRM5 P41594 1/20 0.40
USP30 Q70CQ3 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 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
SCHEMBL6098156 0.95 CHRNA7 (0.58) CHRNA7KDM2BHTR3AARGRM5
SCHEMBL6098161 0.95 CHRNA7 (0.58) CHRNA7KDM2BHTR3AARGRM5
SCHEMBL6100438 0.92 CHRNA7 (0.48) CHRNA7HTR3AARGRM5USP30
SCHEMBL6099779 0.90 CHRNA7 (0.51) CHRNA7HTR3ADRD4SLC6A12SLC6A13
SCHEMBL6098074 0.87 CHRNA7 (0.55) CHRNA7HTR3AARGRM5USP30
SCHEMBL6098078 0.87 CHRNA7 (0.55) CHRNA7HTR3AARGRM5USP30
SCHEMBL6101096 0.84 CHRNA7 (0.58) CHRNA7HTR3ADRD4SLC6A12SLC6A13
SCHEMBL6101093 0.84 CHRNA7 (0.58) CHRNA7HTR3ADRD4SLC6A12SLC6A13
SCHEMBL6101610 0.84 HTR3A (0.60) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL6099902 0.84 CHRNA7 (0.53) CHRNA7HTR3ADRD4SLC6A12SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
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 1836/4885KDM2B 668/4885HTR3A 3325/4885

“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.