SCHEMBL1640231

SCHEMBL1640231

Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 1.00
HRH3 Q9Y5N1 20/20 1.00

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
SCHEMBL1639770 0.82 KCNH2 (0.72) KCNH2HRH3
SCHEMBL1639288 0.82 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1641292 0.81 KCNH2 (0.73) KCNH2HRH3
SCHEMBL1641049 0.80 HRH3 (1.00) KCNH2HRH3
SCHEMBL1639515 0.80 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1639503 0.79 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1639443 0.79 KCNH2 (1.00) KCNH2HRH3
SCHEMBL6248018 0.79 KCNH2 (1.00) KCNH2HRH3
SCHEMBL6067828 0.79 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1640184 0.79 KCNH2 (1.00) KCNH2HRH3

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-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 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 KCNH2 1032/4885HRH3 1/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 KCNH2 1032/4885HRH3 1/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 KCNH2 1032/4885HRH3 1/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 KCNH2 998/4885HRH3 1/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 KCNH2 1007/4885HRH3 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.