SCHEMBL2166970

SCHEMBL2166970

CN1CCN(c2cc(NCc3ccccc3)nc(N)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 1.00
HRH3 Q9Y5N1 4/20 0.78
PIK3CB P42338 1/20 0.74

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
SCHEMBL4401397 0.95 HRH4 (0.91) HRH4HRH3PIK3CB
SCHEMBL15521620 0.89 HRH4 (0.82) HRH4HRH3
SCHEMBL15521589 0.89 HRH4 (1.00) HRH4HRH3
SCHEMBL4390821 0.88 HRH4 (1.00) HRH4HRH3
SCHEMBL12605070 0.87 HRH4 (0.78) HRH4HRH3
SCHEMBL15521616 0.83 HRH4 (1.00) HRH4HRH3
SCHEMBL4401400 0.82 HRH4 (0.74) HRH4HRH3
SCHEMBL5077802 0.81 HRH4 (0.69) HRH4HRH3PIK3CB
SCHEMBL12605089 0.81 HRH4 (0.73) HRH4HRH3
SCHEMBL2165477 0.81 HRH4 (0.67) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
CN-101277951-A 2-aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA SA (ES) 2008-10-01 CN disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 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 (1 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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885PIK3CB 2753/4885

“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.