SCHEMBL1640934

SCHEMBL1640934

N#Cc1cccc(-c2ccc3cc(OCCN4CCCC4)ccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
LTA4H P09960 3/20 0.58
HRH3 Q9Y5N1 12/20 0.56
HRH2 P25021 2/20 0.56
HRH1 P35367 2/20 0.56
BACE1 P56817 1/20 0.56
SCN7A Q01118 1/20 0.51

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
SCHEMBL30357733 0.85 LTA4H (0.61) ESR1LTA4HHRH3HRH2HRH1
SCHEMBL1641074 0.82 HRH3 (0.62) HRH3HRH2HRH1
SCHEMBL4047344 0.78 CLK2 (0.55) ESR1ESR2LTA4HHRH3HRH2
SCHEMBL4874490 0.77 HRH3 (0.82) LTA4HHRH3HRH2HRH1
SCHEMBL1640239 0.77 CHRNB2 (0.64) LTA4HHRH3BACE1
SCHEMBL4089606 0.77 CLK2 (0.57) ESR1ESR2LTA4HHRH3HRH2
Hydrochloric Acid SCHEMBL5426038 0.77 ESR1 (0.80) ESR1ESR2SCN7A
SCHEMBL491737 0.76 HRH3 (0.72) HRH3HRH2HRH1
SCHEMBL227297 0.76 HRH3 (0.85) LTA4HHRH3HRH2HRH1SCN7A
SCHEMBL14503677 0.76 ESR1 (1.00) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US claimed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US claimed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US claimed
JP-2006514926-A 2006-05-18 JP claimed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP claimed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US claimed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO claimed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 US claimed
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US disclosed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 US 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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ESR1 1984/4885ESR2 1306/4885LTA4H 512/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 ESR1 1984/4885ESR2 1306/4885LTA4H 512/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 ESR1 1984/4885ESR2 1306/4885LTA4H 512/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ESR1 1986/4885ESR2 1338/4885LTA4H 469/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ESR1 1994/4885ESR2 1564/4885LTA4H 436/4885

“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.