SCHEMBL4701401

SCHEMBL4701401

c1ccc2c(c1)ccc1oc(N3CCN4CCC3CC4)nc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.64
CHRNA7 P36544 3/20 0.64
KCNH2 Q12809 3/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56

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
SCHEMBL6600824 0.79 HTR3A (0.64) HTR3ACHRNA7KCNH2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5154912 0.78 HTR3A (0.62) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL373021 0.78 HTR3A (1.00) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL4703304 0.77 HTR3A (0.73) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL4704458 0.75 HTR3A (0.58) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5532880 0.73 KCNH2 (0.73) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL4703068 0.73 HTR3A (0.70) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL4699915 0.72 HTR3A (0.69) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL1459339 0.72 HTR3A (1.00) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL4699052 0.72 HTR3A (1.00) HTR3ACHRNA7KCNH2CHRM4CHRM5

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 12 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
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
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 HTR3A 144/4885CHRNA7 1/4885KCNH2 959/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 HTR3A 147/4885CHRNA7 1/4885KCNH2 1560/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 HTR3A 147/4885CHRNA7 1/4885KCNH2 1560/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF HTR3A 462/4885CHRNA7 75/4885KCNH2 1166/4885
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA4 HTR3A 238/4885CHRNA7 1/4885KCNH2 451/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 HTR3A 147/4885CHRNA7 1/4885KCNH2 1560/4885

“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.