SCHEMBL6099754

SCHEMBL6099754

O=C(NC1CC2CC1CN2)c1cc2c(Cl)cccc2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRM4 P08173 2/20 0.34
AKT1 P31749 1/20 0.34
HTR3A P46098 3/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SSTR3 P32745 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
CHRM1 P11229 1/20 0.33
PYGL P06737 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL6101021 0.87 CHRNA7 (0.36) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6100264 0.87 CHRNA7 (0.34) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6101341 0.85 IRAK4 (0.36) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6100239 0.85 HCRTR1 (0.37) CHRNA7DRD3
SCHEMBL6099436 0.82 IRAK4 (0.38) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6101004 0.82 CHRNB2 (0.34) CHRNA7DRD3KCNH2CHRNB2CHRNA4
SCHEMBL6099269 0.82 F10 (0.40) CHRNA7DRD3KCNH2CHRNB2CHRNA4
SCHEMBL6099712 0.81 SSTR3 (0.41) CHRNA7DRD3SSTR3
SCHEMBL6101077 0.81 CHRNB2 (0.35) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6098934 0.81 CHRNB2 (0.35) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 CHRNA7 1836/4885DRD3 3083/4885KCNH2 1393/4885

“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.