SCHEMBL3455985

SCHEMBL3455985

C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1

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
SCHEMBL3455988 1.00 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1639503 0.86 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1640187 0.85 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1639645 0.84 HRH3 (0.73) KCNH2HRH3
SCHEMBL1641173 0.84 KCNH2 (1.00) KCNH2HRH3
SCHEMBL6250516 0.84 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1641306 0.84 KCNH2 (0.73) KCNH2HRH3
SCHEMBL1640946 0.84 KCNH2 (1.00) KCNH2HRH3
SCHEMBL1641292 0.84 KCNH2 (0.73) KCNH2HRH3
SCHEMBL1639446 0.84 KCNH2 (0.76) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP claimed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US claimed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP claimed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US claimed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO claimed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 US claimed
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 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 (2 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-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 KCNH2 1109/4885HRH3 1/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 KCNH2 1109/4885HRH3 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.