SCHEMBL6098934

SCHEMBL6098934

O=C(NC1CC2CC1CN2)c1cc(Cl)c(O)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
AKT1 P31749 1/20 0.33
CHRM4 P08173 2/20 0.32
CNR2 P34972 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
EGFR P00533 1/20 0.32
ANO1 Q5XXA6 5/20 0.32

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
SCHEMBL6101077 0.91 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL6098297 0.87 AKT1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL6102034 0.85 AKT1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL6101288 0.84 TAS1R3 (0.36) CHRNB2CHRNA4CHRM4CNR2HTR3A
SCHEMBL6100160 0.84 CNR2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL6100328 0.82 CBLB (0.38) AKT1CNR2
SCHEMBL6100353 0.81 MAOB (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6099754 0.81 CHRNA7 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL844412 0.81 CHRNA7 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3AKT1
SCHEMBL843757 0.80 CHRNA7 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRNB2 2627/4885CHRNA4 2863/4885CHRNB4 3181/4885

“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.