SCHEMBL4093017

SCHEMBL4093017

CN1CCN(C(=O)c2nc3cccnc3[nH]2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.66
HRH3 Q9Y5N1 2/20 0.62
RIPK1 Q13546 1/20 0.55
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL604426 0.80 HRH4 (1.00) HRH4HRH3DRD2DRD3ALOX15
SCHEMBL602036 0.75 HRH4 (0.90) HRH4HRH3DRD2DRD3ALOX15
SCHEMBL523396 0.74 PIN1 (0.42) RIPK1ALOX15PDE10A
SCHEMBL3368051 0.73 MAP2K1 (0.48) ALOX15PDE10A
Hydrochloric Acid SCHEMBL2816871 0.72 PIN1 (0.41) RIPK1ALOX15PDE10A
SCHEMBL4333657 0.72 RIPK1 (0.46) RIPK1
SCHEMBL606417 0.71 HRH4 (0.81) HRH4HRH3ALOX15
SCHEMBL21043480 0.71 LANCL2 (0.68) HRH4HRH3RIPK1
SCHEMBL31064959 0.71 RIPK1 (1.00) HRH4HRH3RIPK1
SCHEMBL603714 0.70 HRH4 (0.72) HRH4HRH3ALOX15

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
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN claimed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP claimed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US claimed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US disclosed
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 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 (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-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885RIPK1 2982/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885RIPK1 1847/4885

“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.