SCHEMBL2785607

SCHEMBL2785607

C[C@@H]1CCCN1CCc1cc2cc(Br)ccc2o1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.70
KCNH2 Q12809 1/20 0.65
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
HRH2 P25021 1/20 0.62
HTR1D P28221 1/20 0.62
HTR2A P28223 1/20 0.62
HRH1 P35367 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL7142017 1.00 HRH3 (0.70) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL13863629 0.86 HRH3 (0.74) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL13863628 0.82 HRH3 (0.66) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL12988814 0.82 HRH3 (0.66) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL2786108 0.82 HRH3 (0.78) HRH3KCNH2
SCHEMBL2784898 0.82 HRH3 (1.00) HRH3KCNH2
SCHEMBL7145496 0.81 HRH3 (0.77) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL2785226 0.81 HRH3 (0.74) HRH3KCNH2
SCHEMBL2785374 0.81 HRH3 (0.65) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL2786825 0.81 HRH3 (0.77) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
US-20050054677-A1 Process for preparing amine-substituted benzofurans KU YI-YIN (US) 2005-03-10 US disclosed
US-6822101-B2 REACTING 1-(3-BUTYNYL)-PYRROLIDINE OR -PIPERIDINE WITH PHENOLIC COMPOUND; CYCLIZATION; TREATING WITH BORONIC ACID DERIVATIVE; HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES 2004-11-23 US disclosed
US-20040133007-A1 Process for preparing amine-substituted benzofurans ABBOTT LABORATORIES 2004-07-08 US disclosed
WO-2004024707-A2 PROCESS FOR PREPARING AMINE TYPE SUBSTITUTED BENZOFURANS ABBOTT LABORATORIES (US) 2004-03-25 WO disclosed
US-20040054185-A1 Process for preparing amine-substituted benzofurans COWART MARLON D (US) 2004-03-18 US disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 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 (5 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 1106/4885CHRM2 83/4885
US-20050054677-A1 Process for preparing amine-substituted benzofurans HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 1092/4885CHRM2 659/4885
US-20040133007-A1 Process for preparing amine-substituted benzofurans HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 1302/4885CHRM2 681/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 948/4885CHRM2 90/4885
US-20040054185-A1 Process for preparing amine-substituted benzofurans HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 1302/4885CHRM2 681/4885

“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.