SCHEMBL6100264

SCHEMBL6100264

C#Cc1cccc2cnc(C(=O)NC3CC4CC3CN4)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.34
HTR3A P46098 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
USP30 Q70CQ3 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
CHRM5 P08912 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL6101341 0.90 IRAK4 (0.36) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6099754 0.87 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6101021 0.85 CHRNA7 (0.36) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6099564 0.83 CHRNA7 (0.34) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6100142 0.83 CHRNA7 (0.32) CHRNA7USP30
SCHEMBL6098081 0.82 CHRNA7 (0.34) CHRNA7HTR3A
SCHEMBL6100239 0.82 HCRTR1 (0.37) CHRNA7
SCHEMBL844067 0.81 CHRNA7 (0.37) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6099351 0.81 CHRNA7 (0.37) CHRNA7HTR3ACHRNB2CHRNA4HTR3E
SCHEMBL6101408 0.81 HTR3A (0.34) CHRNA7HTR3ASMYD3

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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO 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 3325/4885CHRNB2 2627/4885

“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.