SCHEMBL4700613

SCHEMBL4700613

c1ccc(-c2ccc3nc(N4CCN5CCC4CC5)oc3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.70
HTR3A P46098 3/20 0.70
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4703068 0.90 HTR3A (0.70) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL373021 0.83 HTR3A (1.00) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL4700653 0.82 HTR3A (0.69) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL4703304 0.82 HTR3A (0.73) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL6869433 0.81 HTR3A (0.67) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL6867170 0.81 HTR3A (0.67) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL4698040 0.81 HTR3A (0.67) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL3478481 0.80 HTR3A (0.62) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL4698821 0.79 KCNH2 (0.67) CHRNA7HTR3AKCNH2
SCHEMBL4702418 0.78 HTR3A (0.60) CHRNA7HTR3ACHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809094-B2 N-FUSED HETERCYCLO-1,4- OR -1,5- DIAZABICYCLO DERIVATIVES; NICOTINIC RECEPTOR AGONISTS; CENTRAL NERVOUS SYSTEM (CNS) PFIZER INC 2004-10-26 US claimed
US-7439236-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC (US) 2008-10-21 US disclosed
EP-1219622-B1 Pharmaceutical compositions for CNS and other disorders PFIZER PROD INC (US) 2008-06-18 EP disclosed
EP-1831683-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR Pfizer Products Inc. (US) 2007-09-12 EP disclosed
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC 2007-05-03 US disclosed
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor PFIZER INC 2006-06-29 US disclosed
WO-2006067611-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed
US-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2005-08-11 US disclosed
US-6881734-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. (US) 2005-04-19 US disclosed
US-6809094-B2 N-FUSED HETERCYCLO-1,4- OR -1,5- DIAZABICYCLO DERIVATIVES; NICOTINIC RECEPTOR AGONISTS; CENTRAL NERVOUS SYSTEM (CNS) PFIZER INC 2004-10-26 US disclosed
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2004-10-14 US disclosed
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. 2003-06-26 US disclosed
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders O'NEILL BRIAN THOMAS (US) 2002-07-04 US disclosed
EP-1219622-A2 Pharmaceutical compositions for CNS and other disorders Pfizer Products Inc. (US) 2002-07-03 EP 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 (6 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-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA10, CHRNA5 CHRNA7 1/4885HTR3A 144/4885CHRM4 22/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 147/4885CHRM4 29/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 147/4885CHRM4 29/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF CHRNA7 75/4885HTR3A 462/4885CHRM4 54/4885
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA4 CHRNA7 1/4885HTR3A 238/4885CHRM4 19/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 147/4885CHRM4 29/4885

“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.