SCHEMBL4698519

SCHEMBL4698519

Brc1cnc2oc(N3CCN4CCC3CC4)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.73
HTR3A P46098 4/20 0.66
CHRNA7 P36544 2/20 0.52

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
SCHEMBL5909783 0.93 KCNH2 (0.63) KCNH2HTR3ACHRNA7
SCHEMBL5326653 0.93 KCNH2 (0.63) KCNH2HTR3ACHRNA7
SCHEMBL5326649 0.93 KCNH2 (0.63) KCNH2HTR3ACHRNA7
SCHEMBL6139385 0.85 KCNH2 (1.00) KCNH2HTR3ACHRNA7
SCHEMBL6139396 0.85 KCNH2 (0.73) KCNH2HTR3ACHRNA7
Bromide SCHEMBL6139238 0.84 KCNH2 (0.97) KCNH2HTR3ACHRNA7
Bromide SCHEMBL5674269 0.84 KCNH2 (0.72) KCNH2HTR3ACHRNA7
SCHEMBL4698821 0.81 KCNH2 (0.67) KCNH2HTR3ACHRNA7
SCHEMBL4699143 0.80 HTR3A (1.00) KCNH2HTR3ACHRNA7
SCHEMBL5246818 0.79 KCNH2 (0.65) KCNH2HTR3ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439236-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC (US) 2008-10-21 US claimed
EP-1219622-B1 Pharmaceutical compositions for CNS and other disorders PFIZER PROD INC (US) 2008-06-18 EP claimed
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC 2007-05-03 US claimed
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-7119087-B2 4-(oxazolopyridin-2-yl)-1,4-diazabicyclo-[3.2.2]nonane derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor PFIZER INC 2006-06-29 US disclosed
WO-2006051413-A1 AZABENOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 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-20050004128-A1 4-(Oxazolopyridin-2-yl)-1,4-diazabicyclo-[3.2.2]nonane derivatives, preparation and therapeutic use thereof SANOFI (FR) 2005-01-06 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 (7 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 KCNH2 959/4885HTR3A 144/4885CHRNA7 1/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KCNH2 1560/4885HTR3A 147/4885CHRNA7 1/4885
US-20050004128-A1 4-(Oxazolopyridin-2-yl)-1,4-diazabicyclo-[3.2.2]nonane derivatives, preparation and therapeutic use thereof ARG2, OXA1L, GOT2 KCNH2 489/4885HTR3A 1189/4885CHRNA7 1734/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KCNH2 1560/4885HTR3A 147/4885CHRNA7 1/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF KCNH2 1166/4885HTR3A 462/4885CHRNA7 75/4885
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA4 KCNH2 451/4885HTR3A 238/4885CHRNA7 1/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KCNH2 1560/4885HTR3A 147/4885CHRNA7 1/4885

“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.